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 |
| 154634333 | 185215 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 352 | 2 | 2 | 6 | 2.4 | O=C(O)c1cc2c3ccccc3c3cc(C(=O)O)c(=O)oc3c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4857772 | 185215 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 352 | 2 | 2 | 6 | 2.4 | O=C(O)c1cc2c3ccccc3c3cc(C(=O)O)c(=O)oc3c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 326869 | 112811 | 5 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 314 | 2 | 4 | 4 | 1.1 | Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL3306990 | 112811 | 5 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 314 | 2 | 4 | 4 | 1.1 | Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acs.jmedchem.0c01624 | ||
| 164610101 | 184875 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 342 | 4 | 2 | 6 | 2.5 | COc1cc(C(=O)O)nc2c(C)c3nc(C(=O)O)cc(OC)c3cc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4852667 | 184875 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 342 | 4 | 2 | 6 | 2.5 | COc1cc(C(=O)O)nc2c(C)c3nc(C(=O)O)cc(OC)c3cc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 12138435 | 68057 | 29 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 329 | 1 | 0 | 4 | 4.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 | 10.1021/jm200999f | ||
| CHEMBL1914576 | 68057 | 29 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 329 | 1 | 0 | 4 | 4.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 | 10.1021/jm200999f | ||
| 70696510 | 75303 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 296 | 1 | 1 | 3 | 4.1 | O=C(O)c1sc2c(Br)csc2c1Cl | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037458 | 75303 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 296 | 1 | 1 | 3 | 4.1 | O=C(O)c1sc2c(Br)csc2c1Cl | 10.1016/j.bmcl.2012.04.057 | ||
| 70682869 | 77381 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 275 | 2 | 4 | 4 | 3.0 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccsc1 | 10.1021/ml300076u | ||
| CHEMBL2086422 | 77381 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 275 | 2 | 4 | 4 | 3.0 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccsc1 | 10.1021/ml300076u | ||
| 5281605 | 205732 | 114 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | 10.1021/ml2003058 | ||
| CHEMBL8260 | 205732 | 114 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | 10.1021/ml2003058 | ||
| 145950576 | 162879 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 333 | 3 | 2 | 5 | 2.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccco1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4173352 | 162879 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 333 | 3 | 2 | 5 | 2.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccco1 | 10.1021/acsmedchemlett.7b00510 | ||
| 70687103 | 77702 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 337 | 2 | 4 | 3 | 4.3 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(Cl)cc(Cl)c1 | 10.1021/ml300076u | ||
| CHEMBL2089222 | 77702 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 337 | 2 | 4 | 3 | 4.3 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(Cl)cc(Cl)c1 | 10.1021/ml300076u | ||
| 70687102 | 77701 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 313 | 3 | 5 | 4 | 2.6 | O=C(O)c1ccc(-c2c(C(=O)O)[nH]c3cc(O)c(O)cc23)cc1 | 10.1021/ml300076u | ||
| CHEMBL2089221 | 77701 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 313 | 3 | 5 | 4 | 2.6 | O=C(O)c1ccc(-c2c(C(=O)O)[nH]c3cc(O)c(O)cc23)cc1 | 10.1021/ml300076u | ||
| 5281855 | 202843 | 109 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 302 | 0 | 4 | 8 | 1.3 | O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 | 10.1021/ml2003058 | ||
| CHEMBL6246 | 202843 | 109 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 302 | 0 | 4 | 8 | 1.3 | O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 | 10.1021/ml2003058 | ||
| 53257379 | 68061 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 363 | 1 | 0 | 4 | 5.0 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1Cl | 10.1021/jm200999f | ||
| CHEMBL1914580 | 68061 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 363 | 1 | 0 | 4 | 5.0 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1Cl | 10.1021/jm200999f | ||
| 135403802 | 26531 | 56 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 300 | 0 | 4 | 6 | 1.3 | O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O | 10.1021/ml2003058 | ||
| CHEMBL1360563 | 26531 | 56 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 300 | 0 | 4 | 6 | 1.3 | O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O | 10.1021/ml2003058 | ||
| 411 | 2593 | 92 | None | -144 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O | 10.1021/ml2003058 | ||
| 5281670 | 2593 | 92 | None | -144 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O | 10.1021/ml2003058 | ||
| CHEMBL28626 | 2593 | 92 | None | -144 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O | 10.1021/ml2003058 | ||
| 4488 | 203021 | 110 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/ml2003058 | ||
| CHEMBL63323 | 203021 | 110 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/ml2003058 | ||
| 70692387 | 75310 | 2 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 259 | 1 | 2 | 2 | 3.0 | Cc1c(C(=O)O)[nH]c2c(Br)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037465 | 75310 | 2 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 259 | 1 | 2 | 2 | 3.0 | Cc1c(C(=O)O)[nH]c2c(Br)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 66561718 | 75307 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 275 | 2 | 1 | 4 | 4.0 | Cc1c(C(=O)O)sc2c(-c3cccnc3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037462 | 75307 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 275 | 2 | 1 | 4 | 4.0 | Cc1c(C(=O)O)sc2c(-c3cccnc3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 154634327 | 184739 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(Br)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4850743 | 184739 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(Br)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 153273978 | 195926 | 4 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 248 | 1 | 4 | 5 | 1.0 | O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 | 10.1021/ml2003058 | ||
| 5098885 | 195926 | 4 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 248 | 1 | 4 | 5 | 1.0 | O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 | 10.1021/ml2003058 | ||
| CHEMBL559337 | 195926 | 4 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 248 | 1 | 4 | 5 | 1.0 | O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 | 10.1021/ml2003058 | ||
| 70681838 | 75299 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 290 | 1 | 1 | 3 | 4.0 | Cc1sc2c(C)c(C(=O)O)sc2c1Br | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037453 | 75299 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 290 | 1 | 1 | 3 | 4.0 | Cc1sc2c(C)c(C(=O)O)sc2c1Br | 10.1016/j.bmcl.2012.04.057 | ||
| 70689185 | 77705 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 337 | 2 | 4 | 3 | 4.0 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(C(F)(F)F)cc1 | 10.1021/ml300076u | ||
| CHEMBL2089225 | 77705 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 337 | 2 | 4 | 3 | 4.0 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(C(F)(F)F)cc1 | 10.1021/ml300076u | ||
| 72103 | 43408 | 28 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 356 | 5 | 4 | 4 | 2.1 | CCCCc1cc2c(=O)cc(C(=O)O)[nH]c2c2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL150764 | 43408 | 28 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 356 | 5 | 4 | 4 | 2.1 | CCCCc1cc2c(=O)cc(C(=O)O)[nH]c2c2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634331 | 184548 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 420 | 4 | 2 | 6 | 4.1 | CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4848109 | 184548 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 420 | 4 | 2 | 6 | 4.1 | CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 145951566 | 162765 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 3.2 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1F | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4171782 | 162765 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 3.2 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1F | 10.1021/acsmedchemlett.7b00510 | ||
| 145951566 | 162765 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 3.2 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1F | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4171782 | 162765 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 3.2 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1F | 10.1021/acsmedchemlett.7b00510 | ||
| 145959592 | 162350 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4164993 | 162350 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 411 | 2593 | 92 | None | -144 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O | 10.1021/ml2003058 | ||
| 5281670 | 2593 | 92 | None | -144 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O | 10.1021/ml2003058 | ||
| CHEMBL28626 | 2593 | 92 | None | -144 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O | 10.1021/ml2003058 | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml300076u | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml300076u | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml300076u | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml300076u | ||
| 12533774 | 185518 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 2 | 2 | 6 | 1.6 | Cc1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4862654 | 185518 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 316 | 2 | 2 | 6 | 1.6 | Cc1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 53258793 | 68070 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 374 | 8 | 1 | 3 | 6.3 | CCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| CHEMBL1914589 | 68070 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 374 | 8 | 1 | 3 | 6.3 | CCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| 5281672 | 56554 | 121 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 318 | 1 | 6 | 8 | 1.7 | O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | ||
| CHEMBL164 | 56554 | 121 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 318 | 1 | 6 | 8 | 1.7 | O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | ||
| 70694439 | 75305 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 222 | 1 | 1 | 3 | 3.0 | C#Cc1csc2c(C)c(C(=O)O)sc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037460 | 75305 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 222 | 1 | 1 | 3 | 3.0 | C#Cc1csc2c(C)c(C(=O)O)sc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 154634337 | 185333 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4859764 | 185333 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| 16103462 | 68069 | 19 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| CHEMBL1914588 | 68069 | 19 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| 12138434 | 68062 | 1 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 317 | 4 | 0 | 4 | 4.4 | CCCCc1ccc(C2(C)OC(=C(C#N)C#N)C(C#N)=C2C)cc1 | 10.1021/jm200999f | ||
| CHEMBL1914581 | 68062 | 1 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 317 | 4 | 0 | 4 | 4.4 | CCCCc1ccc(C2(C)OC(=C(C#N)C#N)C(C#N)=C2C)cc1 | 10.1021/jm200999f | ||
| 66561717 | 75301 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 356 | 1 | 2 | 4 | 3.9 | O=C(O)c1sc2c(Br)c(Br)sc2c1O | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037456 | 75301 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 356 | 1 | 2 | 4 | 3.9 | O=C(O)c1sc2c(Br)c(Br)sc2c1O | 10.1016/j.bmcl.2012.04.057 | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1016/j.bmcl.2012.04.057 | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1016/j.bmcl.2012.04.057 | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1016/j.bmcl.2012.04.057 | ||
| 70691268 | 77709 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 364 | 1 | 2 | 3 | 4.1 | Cc1c(C(=O)O)sc2cc(Br)c(O)c(Br)c12 | 10.1021/ml300076u | ||
| CHEMBL2089229 | 77709 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 364 | 1 | 2 | 3 | 4.1 | Cc1c(C(=O)O)sc2cc(Br)c(O)c(Br)c12 | 10.1021/ml300076u | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml2003058 | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml2003058 | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml2003058 | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml2003058 | ||
| 151577785 | 186553 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4878047 | 186553 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| 45093111 | 77706 | 9 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 208 | 1 | 3 | 4 | 1.9 | Cc1c(C(=O)O)oc2cc(O)c(O)cc12 | 10.1021/ml300076u | ||
| CHEMBL2089226 | 77706 | 9 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 208 | 1 | 3 | 4 | 1.9 | Cc1c(C(=O)O)oc2cc(O)c(O)cc12 | 10.1021/ml300076u | ||
| 154634333 | 185215 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 2 | 2 | 6 | 2.4 | O=C(O)c1cc2c3ccccc3c3cc(C(=O)O)c(=O)oc3c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4857772 | 185215 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 2 | 2 | 6 | 2.4 | O=C(O)c1cc2c3ccccc3c3cc(C(=O)O)c(=O)oc3c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 154634330 | 185952 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1cccc(F)c1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4869539 | 185952 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1cccc(F)c1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634321 | 185997 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4870213 | 185997 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 9990345 | 68065 | 35 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 199 | 0 | 0 | 4 | 1.9 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)C | 10.1021/jm200999f | ||
| CHEMBL1914584 | 68065 | 35 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 199 | 0 | 0 | 4 | 1.9 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)C | 10.1021/jm200999f | ||
| 70697499 | 77692 | 1 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 297 | 3 | 3 | 4 | 3.1 | Cc1ccc(Cn2c(C(=O)O)cc3cc(O)c(O)cc32)cc1 | 10.1021/ml300076u | ||
| CHEMBL2089195 | 77692 | 1 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 297 | 3 | 3 | 4 | 3.1 | Cc1ccc(Cn2c(C(=O)O)cc3cc(O)c(O)cc32)cc1 | 10.1021/ml300076u | ||
| 110720191 | 162457 | 2 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 295 | 4 | 2 | 5 | 2.1 | COc1ccc(C(=O)Nc2ccc(-c3nnn[nH]3)cc2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4166802 | 162457 | 2 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 295 | 4 | 2 | 5 | 2.1 | COc1ccc(C(=O)Nc2ccc(-c3nnn[nH]3)cc2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 70692386 | 75308 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 4.7 | Cc1c(C(=O)O)sc2c(-c3ccsc3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037463 | 75308 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 4.7 | Cc1c(C(=O)O)sc2c(-c3ccsc3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 16103462 | 68069 | 19 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/ml2003058 | ||
| CHEMBL1914588 | 68069 | 19 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/ml2003058 | ||
| 73157 | 195359 | 30 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 456 | 10 | 2 | 7 | 5.5 | CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2 | 10.1021/ml2003058 | ||
| CHEMBL551842 | 195359 | 30 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 456 | 10 | 2 | 7 | 5.5 | CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2 | 10.1021/ml2003058 | ||
| 154634326 | 185092 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 404 | 2 | 2 | 8 | 1.5 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(-c3nnn[nH]3)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856029 | 185092 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 404 | 2 | 2 | 8 | 1.5 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(-c3nnn[nH]3)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 149708825 | 186391 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3ccccc3F)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4875771 | 186391 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3ccccc3F)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 53258795 | 68071 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 416 | 11 | 1 | 3 | 7.5 | CCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| CHEMBL1914590 | 68071 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 416 | 11 | 1 | 3 | 7.5 | CCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| 145959306 | 162315 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1cccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4164556 | 162315 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1cccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145949189 | 162737 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 313 | 4 | 2 | 5 | 2.3 | COc1ccc(C(=O)Nc2cc(F)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4171326 | 162737 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 313 | 4 | 2 | 5 | 2.3 | COc1ccc(C(=O)Nc2cc(F)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 2920 | 2997 | 103 | None | 3388 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.0c01624 | ||
| 54742459 | 2997 | 103 | None | 3388 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.0c01624 | ||
| 8546 | 2997 | 103 | None | 3388 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL177880 | 2997 | 103 | None | 3388 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.0c01624 | ||
| 154634332 | 185127 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856506 | 185127 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 145949189 | 162737 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 313 | 4 | 2 | 5 | 2.3 | COc1ccc(C(=O)Nc2cc(F)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4171326 | 162737 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 313 | 4 | 2 | 5 | 2.3 | COc1ccc(C(=O)Nc2cc(F)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acsmedchemlett.7b00510 | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acsmedchemlett.7b00510 | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acsmedchemlett.7b00510 | ||
| 70693381 | 77697 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 269 | 2 | 4 | 3 | 2.9 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccccc1 | 10.1021/ml300076u | ||
| CHEMBL2089217 | 77697 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 269 | 2 | 4 | 3 | 2.9 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccccc1 | 10.1021/ml300076u | ||
| 145958445 | 162131 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4161574 | 162131 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 152243845 | 184899 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 324 | 3 | 2 | 4 | 4.0 | CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4853043 | 184899 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 324 | 3 | 2 | 4 | 4.0 | CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 145955278 | 162559 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(Cl)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4168406 | 162559 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(Cl)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 152550147 | 185328 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3cccc(F)c3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4859675 | 185328 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3cccc(F)c3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 154634334 | 185425 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1ccccc1F)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4861414 | 185425 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1ccccc1F)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 70681838 | 75299 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 290 | 1 | 1 | 3 | 4.0 | Cc1sc2c(C)c(C(=O)O)sc2c1Br | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037453 | 75299 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 290 | 1 | 1 | 3 | 4.0 | Cc1sc2c(C)c(C(=O)O)sc2c1Br | 10.1016/j.bmcl.2012.04.057 | ||
| 70687102 | 77701 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 313 | 3 | 5 | 4 | 2.6 | O=C(O)c1ccc(-c2c(C(=O)O)[nH]c3cc(O)c(O)cc23)cc1 | 10.1021/ml300076u | ||
| CHEMBL2089221 | 77701 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 313 | 3 | 5 | 4 | 2.6 | O=C(O)c1ccc(-c2c(C(=O)O)[nH]c3cc(O)c(O)cc23)cc1 | 10.1021/ml300076u | ||
| 53258795 | 68071 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 416 | 11 | 1 | 3 | 7.5 | CCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| CHEMBL1914590 | 68071 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 416 | 11 | 1 | 3 | 7.5 | CCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| 5281605 | 205732 | 114 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | 10.1021/ml2003058 | ||
| CHEMBL8260 | 205732 | 114 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | 10.1021/ml2003058 | ||
| 53258796 | 68072 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 444 | 13 | 1 | 3 | 8.3 | CCCCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| CHEMBL1914591 | 68072 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 444 | 13 | 1 | 3 | 8.3 | CCCCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| 3715518 | 29758 | 7 | None | -13 | 4 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 379 | 9 | 1 | 3 | 5.2 | COc1ccc(CNCCC(c2ccc(F)cc2)c2ccc(OC)cc2)cc1 | nan | ||
| CHEMBL1386881 | 29758 | 7 | None | -13 | 4 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 379 | 9 | 1 | 3 | 5.2 | COc1ccc(CNCCC(c2ccc(F)cc2)c2ccc(OC)cc2)cc1 | nan | ||
| 119405 | 97144 | 76 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 193 | 1 | 4 | 3 | 1.3 | O=C(O)c1cc2cc(O)c(O)cc2[nH]1 | 10.1021/ml300076u | ||
| CHEMBL267855 | 97144 | 76 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 193 | 1 | 4 | 3 | 1.3 | O=C(O)c1cc2cc(O)c(O)cc2[nH]1 | 10.1021/ml300076u | ||
| 150386356 | 185146 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856916 | 185146 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 119405 | 97144 | 76 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 193 | 1 | 4 | 3 | 1.3 | O=C(O)c1cc2cc(O)c(O)cc2[nH]1 | 10.1021/ml300076u | ||
| CHEMBL267855 | 97144 | 76 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 193 | 1 | 4 | 3 | 1.3 | O=C(O)c1cc2cc(O)c(O)cc2[nH]1 | 10.1021/ml300076u | ||
| 73157 | 195359 | 30 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 456 | 10 | 2 | 7 | 5.5 | CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2 | 10.1021/ml2003058 | ||
| CHEMBL551842 | 195359 | 30 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 456 | 10 | 2 | 7 | 5.5 | CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2 | 10.1021/ml2003058 | ||
| 152684818 | 184992 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2cc1O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4854346 | 184992 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2cc1O | 10.1021/acs.jmedchem.0c01624 | ||
| 66561718 | 75307 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 275 | 2 | 1 | 4 | 4.0 | Cc1c(C(=O)O)sc2c(-c3cccnc3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037462 | 75307 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 275 | 2 | 1 | 4 | 4.0 | Cc1c(C(=O)O)sc2c(-c3cccnc3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 70687103 | 77702 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 337 | 2 | 4 | 3 | 4.3 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(Cl)cc(Cl)c1 | 10.1021/ml300076u | ||
| CHEMBL2089222 | 77702 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 337 | 2 | 4 | 3 | 4.3 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(Cl)cc(Cl)c1 | 10.1021/ml300076u | ||
| 66561717 | 75301 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 356 | 1 | 2 | 4 | 3.9 | O=C(O)c1sc2c(Br)c(Br)sc2c1O | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037456 | 75301 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 356 | 1 | 2 | 4 | 3.9 | O=C(O)c1sc2c(Br)c(Br)sc2c1O | 10.1016/j.bmcl.2012.04.057 | ||
| 70695483 | 77698 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 303 | 2 | 4 | 3 | 3.6 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cccc(Cl)c1 | 10.1021/ml300076u | ||
| CHEMBL2089218 | 77698 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 303 | 2 | 4 | 3 | 3.6 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cccc(Cl)c1 | 10.1021/ml300076u | ||
| 70689184 | 77700 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 313 | 3 | 5 | 4 | 2.6 | O=C(O)c1cccc(-c2c(C(=O)O)[nH]c3cc(O)c(O)cc23)c1 | 10.1021/ml300076u | ||
| CHEMBL2089220 | 77700 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 313 | 3 | 5 | 4 | 2.6 | O=C(O)c1cccc(-c2c(C(=O)O)[nH]c3cc(O)c(O)cc23)c1 | 10.1021/ml300076u | ||
| 154634327 | 184739 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(Br)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4850743 | 184739 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(Br)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 154634326 | 185092 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 404 | 2 | 2 | 8 | 1.5 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(-c3nnn[nH]3)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856029 | 185092 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 404 | 2 | 2 | 8 | 1.5 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(-c3nnn[nH]3)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 70691267 | 77704 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 303 | 2 | 4 | 3 | 3.6 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(Cl)cc1 | 10.1021/ml300076u | ||
| CHEMBL2089224 | 77704 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 303 | 2 | 4 | 3 | 3.6 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(Cl)cc1 | 10.1021/ml300076u | ||
| 944642 | 59120 | 11 | None | -30 | 4 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 4.2 | CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1 | nan | ||
| CHEMBL1698243 | 59120 | 11 | None | -30 | 4 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 4.2 | CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1 | nan | ||
| 70692386 | 75308 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 4.7 | Cc1c(C(=O)O)sc2c(-c3ccsc3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037463 | 75308 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 4.7 | Cc1c(C(=O)O)sc2c(-c3ccsc3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 70690212 | 75304 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 302 | 2 | 1 | 3 | 4.3 | O=C(O)c1sc2c(Br)csc2c1C1CC1 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037459 | 75304 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 302 | 2 | 1 | 3 | 4.3 | O=C(O)c1sc2c(Br)csc2c1C1CC1 | 10.1016/j.bmcl.2012.04.057 | ||
| 66561793 | 75311 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 258 | 2 | 2 | 3 | 3.3 | Cc1c(C(=O)O)[nH]c2c(-c3cccnc3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037466 | 75311 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 258 | 2 | 2 | 3 | 3.3 | Cc1c(C(=O)O)[nH]c2c(-c3cccnc3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 150149078 | 186344 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 282 | 2 | 2 | 4 | 2.9 | O=C(O)c1cc2cc(-c3ccccc3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4875041 | 186344 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 282 | 2 | 2 | 4 | 2.9 | O=C(O)c1cc2cc(-c3ccccc3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 3884 | 44498 | 77 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 242 | 2 | 1 | 3 | 3.2 | CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O | 10.1021/ml2003058 | ||
| CHEMBL15193 | 44498 | 77 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 242 | 2 | 1 | 3 | 3.2 | CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O | 10.1021/ml2003058 | ||
| 152727536 | 184487 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 288 | 2 | 2 | 5 | 2.9 | O=C(O)c1cc2cc(-c3cccs3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4847144 | 184487 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 288 | 2 | 2 | 5 | 2.9 | O=C(O)c1cc2cc(-c3cccs3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 154634322 | 185380 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 307 | 1 | 1 | 8 | 1.0 | N#Cc1cc2c(ccc3cc(-c4nnn[nH]4)c(=O)oc32)oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4860550 | 185380 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 307 | 1 | 1 | 8 | 1.0 | N#Cc1cc2c(ccc3cc(-c4nnn[nH]4)c(=O)oc32)oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 5281855 | 202843 | 109 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 302 | 0 | 4 | 8 | 1.3 | O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 | 10.1021/ml2003058 | ||
| CHEMBL6246 | 202843 | 109 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 302 | 0 | 4 | 8 | 1.3 | O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 | 10.1021/ml2003058 | ||
| 57134579 | 162632 | 18 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 239 | 1 | 2 | 4 | 1.2 | Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4169520 | 162632 | 18 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 239 | 1 | 2 | 4 | 1.2 | Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145957901 | 162075 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4160729 | 162075 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145957901 | 162075 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4160729 | 162075 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 5281672 | 56554 | 121 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 318 | 1 | 6 | 8 | 1.7 | O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | ||
| CHEMBL164 | 56554 | 121 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 318 | 1 | 6 | 8 | 1.7 | O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | ||
| 145951357 | 162764 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1Cl | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4171772 | 162764 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1Cl | 10.1021/acsmedchemlett.7b00510 | ||
| 154634320 | 186610 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 302 | 2 | 2 | 6 | 1.3 | O=C(O)c1cc2c(ccc3cc(C(=O)O)c(=O)oc32)oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4879017 | 186610 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 302 | 2 | 2 | 6 | 1.3 | O=C(O)c1cc2c(ccc3cc(C(=O)O)c(=O)oc32)oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 70683937 | 75041 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 408 | 1 | 1 | 3 | 5.2 | O=C(O)c1sc2c(Br)c(Br)sc2c1C(F)(F)F | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2035007 | 75041 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 408 | 1 | 1 | 3 | 5.2 | O=C(O)c1sc2c(Br)c(Br)sc2c1C(F)(F)F | 10.1016/j.bmcl.2012.04.057 | ||
| 145951357 | 162764 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1Cl | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4171772 | 162764 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1Cl | 10.1021/acsmedchemlett.7b00510 | ||
| 12138435 | 68057 | 29 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 329 | 1 | 0 | 4 | 4.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 | 10.1021/jm200999f | ||
| CHEMBL1914576 | 68057 | 29 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 329 | 1 | 0 | 4 | 4.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 | 10.1021/jm200999f | ||
| 5215 | 2386 | 132 | None | -1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O | 10.1021/ml2003058 | ||
| 5280445 | 2386 | 132 | None | -1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O | 10.1021/ml2003058 | ||
| CHEMBL151 | 2386 | 132 | None | -1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O | 10.1021/ml2003058 | ||
| 154634315 | 184878 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1ccc(F)cc1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4852718 | 184878 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1ccc(F)cc1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 56646802 | 68058 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 351 | 1 | 0 | 4 | 3.8 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1c(F)c(F)c(F)c(F)c1F | 10.1021/jm200999f | ||
| CHEMBL1914577 | 68058 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 351 | 1 | 0 | 4 | 3.8 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1c(F)c(F)c(F)c(F)c1F | 10.1021/jm200999f | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.0c01624 | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.0c01624 | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.0c01624 | ||
| 16103482 | 68066 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 268 | 6 | 1 | 3 | 4.8 | CCCCCCc1c(C(=O)O)sc2ccsc12 | 10.1021/jm200999f | ||
| CHEMBL1914585 | 68066 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 268 | 6 | 1 | 3 | 4.8 | CCCCCCc1c(C(=O)O)sc2ccsc12 | 10.1021/jm200999f | ||
| 70695483 | 77698 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 303 | 2 | 4 | 3 | 3.6 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cccc(Cl)c1 | 10.1021/ml300076u | ||
| CHEMBL2089218 | 77698 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 303 | 2 | 4 | 3 | 3.6 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cccc(Cl)c1 | 10.1021/ml300076u | ||
| 145971743 | 163104 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1F | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4177096 | 163104 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1F | 10.1021/acsmedchemlett.7b00510 | ||
| 145971743 | 163104 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1F | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4177096 | 163104 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1F | 10.1021/acsmedchemlett.7b00510 | ||
| 11674067 | 68059 | 28 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 315 | 1 | 0 | 4 | 3.6 | CC1=C(C#N)C(=C(C#N)C#N)OC1(c1ccccc1)C(F)(F)F | 10.1021/jm200999f | ||
| CHEMBL1914578 | 68059 | 28 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 315 | 1 | 0 | 4 | 3.6 | CC1=C(C#N)C(=C(C#N)C#N)OC1(c1ccccc1)C(F)(F)F | 10.1021/jm200999f | ||
| 145953959 | 162677 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 3.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(C(F)(F)F)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4170205 | 162677 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 3.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(C(F)(F)F)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 70686064 | 75300 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 354 | 1 | 1 | 3 | 4.5 | Cc1c(C(=O)O)sc2c(Br)c(Br)sc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037454 | 75300 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 354 | 1 | 1 | 3 | 4.5 | Cc1c(C(=O)O)sc2c(Br)c(Br)sc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 154634324 | 185711 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 384 | 3 | 2 | 7 | 3.0 | O=C(O)c1cc2c(oc1=O)c(-c1cccs1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4865638 | 185711 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 384 | 3 | 2 | 7 | 3.0 | O=C(O)c1cc2c(oc1=O)c(-c1cccs1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 70686065 | 75309 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 264 | 2 | 2 | 4 | 3.4 | Cc1c(C(=O)O)sc2c(-c3cn[nH]c3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037464 | 75309 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 264 | 2 | 2 | 4 | 3.4 | Cc1c(C(=O)O)sc2c(-c3cn[nH]c3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 145971240 | 163087 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 309 | 3 | 2 | 4 | 2.2 | CC(C)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4176719 | 163087 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 309 | 3 | 2 | 4 | 2.2 | CC(C)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145971240 | 163087 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 309 | 3 | 2 | 4 | 2.2 | CC(C)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4176719 | 163087 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 309 | 3 | 2 | 4 | 2.2 | CC(C)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 5491415 | 75292 | 19 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 537 | 6 | 8 | 10 | 1.7 | CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1 | 10.1021/ml2003058 | ||
| CHEMBL2037378 | 75292 | 19 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 537 | 6 | 8 | 10 | 1.7 | CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1 | 10.1021/ml2003058 | ||
| 154634318 | 185999 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 318 | 2 | 3 | 7 | 1.0 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(O)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4870255 | 185999 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 318 | 2 | 3 | 7 | 1.0 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(O)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 70696510 | 75303 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 296 | 1 | 1 | 3 | 4.1 | O=C(O)c1sc2c(Br)csc2c1Cl | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037458 | 75303 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 296 | 1 | 1 | 3 | 4.1 | O=C(O)c1sc2c(Br)csc2c1Cl | 10.1016/j.bmcl.2012.04.057 | ||
| 2918 | 2204 | 126 | None | -2630 | 4 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 10.1021/jm4009373 | ||
| 3845 | 2204 | 126 | None | -2630 | 4 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 10.1021/jm4009373 | ||
| CHEMBL299155 | 2204 | 126 | None | -2630 | 4 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 10.1021/jm4009373 | ||
| DB11937 | 2204 | 126 | None | -2630 | 4 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 10.1021/jm4009373 | ||
| 70691265 | 77694 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 325 | 4 | 3 | 5 | 2.9 | Cc1ccc(C(=O)Cn2c(C(=O)O)cc3cc(O)c(O)cc32)cc1 | 10.1021/ml300076u | ||
| CHEMBL2089197 | 77694 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 325 | 4 | 3 | 5 | 2.9 | Cc1ccc(C(=O)Cn2c(C(=O)O)cc3cc(O)c(O)cc32)cc1 | 10.1021/ml300076u | ||
| 4488 | 203021 | 110 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/ml2003058 | ||
| CHEMBL63323 | 203021 | 110 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/ml2003058 | ||
| 145956623 | 162013 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 3.0 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c(F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4159575 | 162013 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 3.0 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c(F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145956623 | 162013 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 3.0 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c(F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4159575 | 162013 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 3.0 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c(F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 70682865 | 77695 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 271 | 1 | 4 | 3 | 2.0 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1Br | 10.1021/ml300076u | ||
| CHEMBL2089199 | 77695 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 271 | 1 | 4 | 3 | 2.0 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1Br | 10.1021/ml300076u | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| 660319 | 11003 | 96 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 184 | 1 | 1 | 3 | 2.7 | O=C(O)c1cc2sccc2s1 | 10.1021/jm200999f | ||
| CHEMBL1173787 | 11003 | 96 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 184 | 1 | 1 | 3 | 2.7 | O=C(O)c1cc2sccc2s1 | 10.1021/jm200999f | ||
| 68324914 | 185731 | 38 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 284 | 2 | 2 | 5 | 3.6 | O=C(O)c1cc2sc3cc(C(=O)O)sc3c2s1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4865971 | 185731 | 38 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 284 | 2 | 2 | 5 | 3.6 | O=C(O)c1cc2sc3cc(C(=O)O)sc3c2s1 | 10.1021/acs.jmedchem.0c01624 | ||
| 13950957 | 157328 | 7 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 284 | 1 | 2 | 4 | 2.0 | O=C(O)c1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4077503 | 157328 | 7 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 284 | 1 | 2 | 4 | 2.0 | O=C(O)c1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 15774808 | 77691 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 283 | 3 | 3 | 4 | 2.8 | O=C(O)c1cc2cc(O)c(O)cc2n1Cc1ccccc1 | 10.1021/ml300076u | ||
| CHEMBL2089194 | 77691 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 283 | 3 | 3 | 4 | 2.8 | O=C(O)c1cc2cc(O)c(O)cc2n1Cc1ccccc1 | 10.1021/ml300076u | ||
| 145958495 | 162198 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 349 | 3 | 2 | 4 | 3.1 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)C1CCCCC1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4162653 | 162198 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 349 | 3 | 2 | 4 | 3.1 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)C1CCCCC1 | 10.1021/acsmedchemlett.7b00510 | ||
| 70687104 | 77703 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 305 | 2 | 4 | 3 | 3.2 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(F)cc(F)c1 | 10.1021/ml300076u | ||
| CHEMBL2089223 | 77703 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 305 | 2 | 4 | 3 | 3.2 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(F)cc(F)c1 | 10.1021/ml300076u | ||
| 70689180 | 77693 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 311 | 4 | 3 | 5 | 2.6 | O=C(Cn1c(C(=O)O)cc2cc(O)c(O)cc21)c1ccccc1 | 10.1021/ml300076u | ||
| CHEMBL2089196 | 77693 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 311 | 4 | 3 | 5 | 2.6 | O=C(Cn1c(C(=O)O)cc2cc(O)c(O)cc21)c1ccccc1 | 10.1021/ml300076u | ||
| 145958495 | 162198 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 349 | 3 | 2 | 4 | 3.1 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)C1CCCCC1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4162653 | 162198 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 349 | 3 | 2 | 4 | 3.1 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)C1CCCCC1 | 10.1021/acsmedchemlett.7b00510 | ||
| 10868388 | 162133 | 47 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 239 | 1 | 2 | 4 | 1.2 | Nc1ccc(Br)cc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4161599 | 162133 | 47 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 239 | 1 | 2 | 4 | 1.2 | Nc1ccc(Br)cc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145954149 | 162599 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4169062 | 162599 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 154634323 | 184604 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4848949 | 184604 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 145954149 | 162599 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4169062 | 162599 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 15774807 | 77689 | 31 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 207 | 1 | 3 | 4 | 1.3 | Cn1c(C(=O)O)cc2cc(O)c(O)cc21 | 10.1021/ml300076u | ||
| CHEMBL2089192 | 77689 | 31 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 207 | 1 | 3 | 4 | 1.3 | Cn1c(C(=O)O)cc2cc(O)c(O)cc21 | 10.1021/ml300076u | ||
| 53258898 | 68073 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 472 | 15 | 1 | 3 | 9.1 | CCCCCCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| CHEMBL1914592 | 68073 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 472 | 15 | 1 | 3 | 9.1 | CCCCCCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| 70697498 | 77690 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 221 | 2 | 3 | 4 | 1.8 | CCn1c(C(=O)O)cc2cc(O)c(O)cc21 | 10.1021/ml300076u | ||
| CHEMBL2089193 | 77690 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 221 | 2 | 3 | 4 | 1.8 | CCn1c(C(=O)O)cc2cc(O)c(O)cc21 | 10.1021/ml300076u | ||
| 21337669 | 68063 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 239 | 0 | 0 | 4 | 2.9 | CC1=C(C#N)C(=C(C#N)C#N)OC12CCCCC2 | 10.1021/jm200999f | ||
| CHEMBL1914582 | 68063 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 239 | 0 | 0 | 4 | 2.9 | CC1=C(C#N)C(=C(C#N)C#N)OC12CCCCC2 | 10.1021/jm200999f | ||
| 145952561 | 162959 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 3.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(C(F)(F)F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4174783 | 162959 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 3.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(C(F)(F)F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 70691268 | 77709 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 364 | 1 | 2 | 3 | 4.1 | Cc1c(C(=O)O)sc2cc(Br)c(O)c(Br)c12 | 10.1021/ml300076u | ||
| CHEMBL2089229 | 77709 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 364 | 1 | 2 | 3 | 4.1 | Cc1c(C(=O)O)sc2cc(Br)c(O)c(Br)c12 | 10.1021/ml300076u | ||
| 135403802 | 26531 | 56 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 300 | 0 | 4 | 6 | 1.3 | O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O | 10.1021/ml2003058 | ||
| CHEMBL1360563 | 26531 | 56 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 300 | 0 | 4 | 6 | 1.3 | O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O | 10.1021/ml2003058 | ||
| 3884 | 44498 | 77 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 242 | 2 | 1 | 3 | 3.2 | CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O | 10.1021/ml2003058 | ||
| CHEMBL15193 | 44498 | 77 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 242 | 2 | 1 | 3 | 3.2 | CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O | 10.1021/ml2003058 | ||
| 154634328 | 185101 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 378 | 3 | 2 | 6 | 3.0 | O=C(O)c1cc2c(oc1=O)c(-c1ccccc1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856069 | 185101 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 378 | 3 | 2 | 6 | 3.0 | O=C(O)c1cc2c(oc1=O)c(-c1ccccc1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 164627011 | 186406 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 350 | 2 | 2 | 4 | 3.8 | Cc1c2nc(C(=O)O)cc(Cl)c2cc2c(Cl)cc(C(=O)O)nc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4876009 | 186406 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 350 | 2 | 2 | 4 | 3.8 | Cc1c2nc(C(=O)O)cc(Cl)c2cc2c(Cl)cc(C(=O)O)nc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 2920 | 2997 | 103 | None | 3388 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.0c01624 | ||
| 54742459 | 2997 | 103 | None | 3388 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.0c01624 | ||
| 8546 | 2997 | 103 | None | 3388 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL177880 | 2997 | 103 | None | 3388 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.0c01624 | ||
| 6619478 | 25937 | 3 | None | -9 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 501 | 4 | 2 | 8 | 4.5 | COc1ccc(NC(=O)c2cnn3c(O)cc(C4CCN(C(=O)OC(C)(C)C)CC4)nc23)cc1Cl | nan | ||
| CHEMBL1354041 | 25937 | 3 | None | -9 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 501 | 4 | 2 | 8 | 4.5 | COc1ccc(NC(=O)c2cnn3c(O)cc(C4CCN(C(=O)OC(C)(C)C)CC4)nc23)cc1Cl | nan | ||
| 70683937 | 75041 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 408 | 1 | 1 | 3 | 5.2 | O=C(O)c1sc2c(Br)c(Br)sc2c1C(F)(F)F | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2035007 | 75041 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 408 | 1 | 1 | 3 | 5.2 | O=C(O)c1sc2c(Br)c(Br)sc2c1C(F)(F)F | 10.1016/j.bmcl.2012.04.057 | ||
| 145955027 | 162540 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 349 | 3 | 2 | 5 | 2.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccs1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4168042 | 162540 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 349 | 3 | 2 | 5 | 2.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccs1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145955027 | 162540 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 349 | 3 | 2 | 5 | 2.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccs1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4168042 | 162540 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 349 | 3 | 2 | 5 | 2.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccs1 | 10.1021/acsmedchemlett.7b00510 | ||
| 5491415 | 75292 | 19 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 537 | 6 | 8 | 10 | 1.7 | CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1 | 10.1021/ml2003058 | ||
| CHEMBL2037378 | 75292 | 19 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 537 | 6 | 8 | 10 | 1.7 | CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1 | 10.1021/ml2003058 | ||
| 44351698 | 120848 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 464 | 8 | 3 | 7 | 3.2 | O=C(O)c1cc(=O)c2c(CCC(O)CCc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL3558475 | 120848 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 464 | 8 | 3 | 7 | 3.2 | O=C(O)c1cc(=O)c2c(CCC(O)CCc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1 | 10.1021/acs.jmedchem.0c01624 | ||
| 145958540 | 162270 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4163894 | 162270 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 6622007 | 39042 | 7 | None | -9 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 489 | 3 | 2 | 7 | 4.6 | CC(C)(C)OC(=O)N1CCC(c2cc(O)n3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c3n2)CC1 | nan | ||
| CHEMBL1468612 | 39042 | 7 | None | -9 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 489 | 3 | 2 | 7 | 4.6 | CC(C)(C)OC(=O)N1CCC(c2cc(O)n3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c3n2)CC1 | nan | ||
| 145958540 | 162270 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4163894 | 162270 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 70683939 | 75306 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 238 | 2 | 1 | 3 | 3.8 | Cc1c(C(=O)O)sc2c(C3CC3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037461 | 75306 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 238 | 2 | 1 | 3 | 3.8 | Cc1c(C(=O)O)sc2c(C3CC3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 70686065 | 75309 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 264 | 2 | 2 | 4 | 3.4 | Cc1c(C(=O)O)sc2c(-c3cn[nH]c3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037464 | 75309 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 264 | 2 | 2 | 4 | 3.4 | Cc1c(C(=O)O)sc2c(-c3cn[nH]c3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 70690213 | 75313 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.0 | Cc1c(C(=O)O)n(C)c2c(Br)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037468 | 75313 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.0 | Cc1c(C(=O)O)n(C)c2c(Br)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml300076u | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml300076u | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml300076u | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml300076u | ||
| 21337671 | 68064 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 297 | 1 | 0 | 4 | 3.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(F)cc1F | 10.1021/jm200999f | ||
| CHEMBL1914583 | 68064 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 297 | 1 | 0 | 4 | 3.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(F)cc1F | 10.1021/jm200999f | ||
| 153273978 | 195926 | 4 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 248 | 1 | 4 | 5 | 1.0 | O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 | 10.1021/ml2003058 | ||
| 5098885 | 195926 | 4 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 248 | 1 | 4 | 5 | 1.0 | O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 | 10.1021/ml2003058 | ||
| CHEMBL559337 | 195926 | 4 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 248 | 1 | 4 | 5 | 1.0 | O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 | 10.1021/ml2003058 | ||
| 164627011 | 186406 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 350 | 2 | 2 | 4 | 3.8 | Cc1c2nc(C(=O)O)cc(Cl)c2cc2c(Cl)cc(C(=O)O)nc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4876009 | 186406 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 350 | 2 | 2 | 4 | 3.8 | Cc1c2nc(C(=O)O)cc(Cl)c2cc2c(Cl)cc(C(=O)O)nc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 70694439 | 75305 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 222 | 1 | 1 | 3 | 3.0 | C#Cc1csc2c(C)c(C(=O)O)sc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037460 | 75305 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 222 | 1 | 1 | 3 | 3.0 | C#Cc1csc2c(C)c(C(=O)O)sc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 145971442 | 163027 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4175848 | 163027 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145971442 | 163027 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4175848 | 163027 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 5280343 | 188275 | 124 | None | -8 | 12 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | ||
| CHEMBL1520590 | 188275 | 124 | None | -8 | 12 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | ||
| CHEMBL50 | 188275 | 124 | None | -8 | 12 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | ||
| 154634332 | 185127 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856506 | 185127 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 16103465 | 68068 | 2 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 254 | 1 | 1 | 4 | 4.2 | Cc1csc2c1sc1cc(C(=O)O)sc12 | 10.1021/jm200999f | ||
| CHEMBL1914587 | 68068 | 2 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 254 | 1 | 1 | 4 | 4.2 | Cc1csc2c1sc1cc(C(=O)O)sc12 | 10.1021/jm200999f | ||
| 16103462 | 68069 | 19 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL1914588 | 68069 | 19 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 145952912 | 162444 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4166473 | 162444 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml2003058 | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml2003058 | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml2003058 | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml2003058 | ||
| 70682869 | 77381 | 0 | None | - | 1 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 275 | 2 | 4 | 4 | 3.0 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccsc1 | 10.1021/ml300076u | ||
| CHEMBL2086422 | 77381 | 0 | None | - | 1 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 275 | 2 | 4 | 4 | 3.0 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccsc1 | 10.1021/ml300076u | ||
| 145954727 | 162421 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 295 | 3 | 2 | 4 | 2.0 | CCC(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4166100 | 162421 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 295 | 3 | 2 | 4 | 2.0 | CCC(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145952912 | 162444 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4166473 | 162444 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 70684936 | 77708 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 224 | 1 | 3 | 4 | 2.3 | Cc1c(C(=O)O)sc2cc(O)c(O)cc12 | 10.1021/ml300076u | ||
| CHEMBL2089228 | 77708 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 224 | 1 | 3 | 4 | 2.3 | Cc1c(C(=O)O)sc2cc(O)c(O)cc12 | 10.1021/ml300076u | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.0c01624 | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.0c01624 | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634321 | 185997 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4870213 | 185997 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 145954727 | 162421 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 295 | 3 | 2 | 4 | 2.0 | CCC(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4166100 | 162421 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 295 | 3 | 2 | 4 | 2.0 | CCC(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1016/j.bmcl.2012.04.057 | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1016/j.bmcl.2012.04.057 | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1016/j.bmcl.2012.04.057 | ||
| 66561793 | 75311 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 258 | 2 | 2 | 3 | 3.3 | Cc1c(C(=O)O)[nH]c2c(-c3cccnc3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037466 | 75311 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 258 | 2 | 2 | 3 | 3.3 | Cc1c(C(=O)O)[nH]c2c(-c3cccnc3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 16103462 | 68069 | 19 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| CHEMBL1914588 | 68069 | 19 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| 16103462 | 68069 | 19 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/ml2003058 | ||
| CHEMBL1914588 | 68069 | 19 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/ml2003058 | ||
| 15774807 | 77689 | 31 | None | - | 1 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 207 | 1 | 3 | 4 | 1.3 | Cn1c(C(=O)O)cc2cc(O)c(O)cc21 | 10.1021/ml300076u | ||
| CHEMBL2089192 | 77689 | 31 | None | - | 1 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 207 | 1 | 3 | 4 | 1.3 | Cn1c(C(=O)O)cc2cc(O)c(O)cc21 | 10.1021/ml300076u | ||
| 45489602 | 59275 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 295 | 4 | 2 | 5 | 2.1 | COc1ccc(C(=O)Nc2ccccc2-c2nn[nH]n2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL1704189 | 59275 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 295 | 4 | 2 | 5 | 2.1 | COc1ccc(C(=O)Nc2ccccc2-c2nn[nH]n2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 154634336 | 186068 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4871203 | 186068 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 45489602 | 59275 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 295 | 4 | 2 | 5 | 2.1 | COc1ccc(C(=O)Nc2ccccc2-c2nn[nH]n2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL1704189 | 59275 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 295 | 4 | 2 | 5 | 2.1 | COc1ccc(C(=O)Nc2ccccc2-c2nn[nH]n2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 21337670 | 68060 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 321 | 0 | 0 | 4 | 4.1 | CC1=C(C#N)C(=C(C#N)C#N)OC12c1ccccc1-c1ccccc12 | 10.1021/jm200999f | ||
| CHEMBL1914579 | 68060 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 321 | 0 | 0 | 4 | 4.1 | CC1=C(C#N)C(=C(C#N)C#N)OC12c1ccccc1-c1ccccc12 | 10.1021/jm200999f | ||
| 70686064 | 75300 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 354 | 1 | 1 | 3 | 4.5 | Cc1c(C(=O)O)sc2c(Br)c(Br)sc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037454 | 75300 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 354 | 1 | 1 | 3 | 4.5 | Cc1c(C(=O)O)sc2c(Br)c(Br)sc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 44351698 | 120848 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 464 | 8 | 3 | 7 | 3.2 | O=C(O)c1cc(=O)c2c(CCC(O)CCc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL3558475 | 120848 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 464 | 8 | 3 | 7 | 3.2 | O=C(O)c1cc(=O)c2c(CCC(O)CCc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1 | 10.1021/acs.jmedchem.0c01624 | ||
| 5328791 | 204984 | 64 | None | - | 1 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 189 | 2 | 2 | 3 | 1.4 | N#C/C(=C\c1ccc(O)cc1)C(=O)O | 10.1021/ml2003058 | ||
| CHEMBL76602 | 204984 | 64 | None | - | 1 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 189 | 2 | 2 | 3 | 1.4 | N#C/C(=C\c1ccc(O)cc1)C(=O)O | 10.1021/ml2003058 | ||
| 1024 | 16488 | 106 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 330 | 3 | 4 | 6 | 0.6 | O=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL1235421 | 16488 | 106 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 330 | 3 | 4 | 6 | 0.6 | O=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2 | 10.1021/acs.jmedchem.0c01624 | ||
| 5215 | 2386 | 132 | None | -1 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O | 10.1021/ml2003058 | ||
| 5280445 | 2386 | 132 | None | -1 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O | 10.1021/ml2003058 | ||
| CHEMBL151 | 2386 | 132 | None | -1 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O | 10.1021/ml2003058 | ||
| 20259231 | 77707 | 18 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 210 | 1 | 3 | 4 | 2.0 | O=C(O)c1cc2cc(O)c(O)cc2s1 | 10.1021/ml300076u | ||
| CHEMBL2089227 | 77707 | 18 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 210 | 1 | 3 | 4 | 2.0 | O=C(O)c1cc2cc(O)c(O)cc2s1 | 10.1021/ml300076u | ||
| 70689184 | 77700 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 313 | 3 | 5 | 4 | 2.6 | O=C(O)c1cccc(-c2c(C(=O)O)[nH]c3cc(O)c(O)cc23)c1 | 10.1021/ml300076u | ||
| CHEMBL2089220 | 77700 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 313 | 3 | 5 | 4 | 2.6 | O=C(O)c1cccc(-c2c(C(=O)O)[nH]c3cc(O)c(O)cc23)c1 | 10.1021/ml300076u | ||
| 70697498 | 77690 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 221 | 2 | 3 | 4 | 1.8 | CCn1c(C(=O)O)cc2cc(O)c(O)cc21 | 10.1021/ml300076u | ||
| CHEMBL2089193 | 77690 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 221 | 2 | 3 | 4 | 1.8 | CCn1c(C(=O)O)cc2cc(O)c(O)cc21 | 10.1021/ml300076u | ||
| 326869 | 112811 | 5 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 314 | 2 | 4 | 4 | 1.1 | Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL3306990 | 112811 | 5 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 314 | 2 | 4 | 4 | 1.1 | Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acs.jmedchem.0c01624 | ||
| 164610101 | 184875 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 342 | 4 | 2 | 6 | 2.5 | COc1cc(C(=O)O)nc2c(C)c3nc(C(=O)O)cc(OC)c3cc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4852667 | 184875 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 342 | 4 | 2 | 6 | 2.5 | COc1cc(C(=O)O)nc2c(C)c3nc(C(=O)O)cc(OC)c3cc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 5280343 | 188275 | 124 | None | -8 | 12 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | ||
| CHEMBL1520590 | 188275 | 124 | None | -8 | 12 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | ||
| CHEMBL50 | 188275 | 124 | None | -8 | 12 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | ||
| 154634314 | 186609 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2c2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4878979 | 186609 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2c2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 145953203 | 162538 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 403 | 5 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1OC | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4167991 | 162538 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 403 | 5 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1OC | 10.1021/acsmedchemlett.7b00510 | ||
| 16103462 | 68069 | 19 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL1914588 | 68069 | 19 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 145953203 | 162538 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 403 | 5 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1OC | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4167991 | 162538 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 403 | 5 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1OC | 10.1021/acsmedchemlett.7b00510 | ||
| 70681839 | 75312 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 221 | 2 | 2 | 2 | 3.1 | Cc1c(C(=O)O)[nH]c2c(C3CC3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037467 | 75312 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 221 | 2 | 2 | 2 | 3.1 | Cc1c(C(=O)O)[nH]c2c(C3CC3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 70689183 | 77699 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 270 | 2 | 4 | 4 | 2.3 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cccnc1 | 10.1021/ml300076u | ||
| CHEMBL2089219 | 77699 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 270 | 2 | 4 | 4 | 2.3 | O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cccnc1 | 10.1021/ml300076u | ||
| 145952039 | 162808 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4172440 | 162808 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145952039 | 162808 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4172440 | 162808 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145974046 | 163012 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1cccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4175617 | 163012 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1cccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 151271218 | 186155 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3ccc(F)cc3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4872368 | 186155 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3ccc(F)cc3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 145959908 | 162062 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1Cl | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4160515 | 162062 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1Cl | 10.1021/acsmedchemlett.7b00510 | ||
| 145952453 | 162788 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 343 | 3 | 2 | 4 | 2.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4172188 | 162788 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 343 | 3 | 2 | 4 | 2.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145959908 | 162062 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1Cl | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4160515 | 162062 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1Cl | 10.1021/acsmedchemlett.7b00510 | ||
| 145952453 | 162788 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 343 | 3 | 2 | 4 | 2.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4172188 | 162788 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 343 | 3 | 2 | 4 | 2.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145974046 | 163012 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1cccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4175617 | 163012 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1cccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 70690213 | 75313 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.0 | Cc1c(C(=O)O)n(C)c2c(Br)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037468 | 75313 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.0 | Cc1c(C(=O)O)n(C)c2c(Br)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 70684936 | 77708 | 0 | None | - | 1 | Human | 4.0 | pEC50 | = | 4.0 | Functional | ChEMBL | 224 | 1 | 3 | 4 | 2.3 | Cc1c(C(=O)O)sc2cc(O)c(O)cc12 | 10.1021/ml300076u | ||
| CHEMBL2089228 | 77708 | 0 | None | - | 1 | Human | 4.0 | pEC50 | = | 4.0 | Functional | ChEMBL | 224 | 1 | 3 | 4 | 2.3 | Cc1c(C(=O)O)sc2cc(O)c(O)cc12 | 10.1021/ml300076u | ||
| 154634335 | 184483 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1cccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4847100 | 184483 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1cccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634316 | 186342 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 426 | 4 | 2 | 7 | 3.1 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c(F)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4875009 | 186342 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 426 | 4 | 2 | 7 | 3.1 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c(F)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| 53258899 | 68067 | 1 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 268 | 6 | 1 | 3 | 4.8 | CCCCCCc1csc2cc(C(=O)O)sc12 | 10.1021/jm200999f | ||
| CHEMBL1914586 | 68067 | 1 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 268 | 6 | 1 | 3 | 4.8 | CCCCCCc1csc2cc(C(=O)O)sc12 | 10.1021/jm200999f | ||
| 57697 | 14466 | 38 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 228 | 1 | 1 | 6 | 0.2 | Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL1201198 | 14466 | 38 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 228 | 1 | 1 | 6 | 0.2 | Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12 | 10.1021/acsmedchemlett.7b00510 | ||
| 70683939 | 75306 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 238 | 2 | 1 | 3 | 3.8 | Cc1c(C(=O)O)sc2c(C3CC3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037461 | 75306 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 238 | 2 | 1 | 3 | 3.8 | Cc1c(C(=O)O)sc2c(C3CC3)csc12 | 10.1016/j.bmcl.2012.04.057 | ||
| 70683938 | 75302 | 1 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 200 | 1 | 2 | 4 | 2.4 | O=C(O)c1sc2ccsc2c1O | 10.1016/j.bmcl.2012.04.057 | ||
| CHEMBL2037457 | 75302 | 1 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 200 | 1 | 2 | 4 | 2.4 | O=C(O)c1sc2ccsc2c1O | 10.1016/j.bmcl.2012.04.057 | ||
| 5328791 | 204984 | 64 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 189 | 2 | 2 | 3 | 1.4 | N#C/C(=C\c1ccc(O)cc1)C(=O)O | 10.1021/ml2003058 | ||
| CHEMBL76602 | 204984 | 64 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 189 | 2 | 2 | 3 | 1.4 | N#C/C(=C\c1ccc(O)cc1)C(=O)O | 10.1021/ml2003058 | ||
| 154634333 | 185215 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 352 | 2 | 2 | 6 | 2.4 | O=C(O)c1cc2c3ccccc3c3cc(C(=O)O)c(=O)oc3c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4857772 | 185215 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 352 | 2 | 2 | 6 | 2.4 | O=C(O)c1cc2c3ccccc3c3cc(C(=O)O)c(=O)oc3c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 326869 | 112811 | 5 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 314 | 2 | 4 | 4 | 1.1 | Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL3306990 | 112811 | 5 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 314 | 2 | 4 | 4 | 1.1 | Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634333 | 185215 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 352 | 2 | 2 | 6 | 2.4 | O=C(O)c1cc2c3ccccc3c3cc(C(=O)O)c(=O)oc3c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4857772 | 185215 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 352 | 2 | 2 | 6 | 2.4 | O=C(O)c1cc2c3ccccc3c3cc(C(=O)O)c(=O)oc3c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 3110120 | 41918 | 10 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 474 | 10 | 3 | 5 | 5.2 | CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)O)c2)cc1 | nan | ||
| CHEMBL1494365 | 41918 | 10 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 474 | 10 | 3 | 5 | 5.2 | CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)O)c2)cc1 | nan | ||
| 644413 | 33531 | 7 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 315 | 1 | 1 | 5 | 2.0 | CN1C=CC2=C(C#N)C(N)C(C#N)(C#N)C(c3ccccc3)C2C1 | nan | ||
| CHEMBL1420573 | 33531 | 7 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 315 | 1 | 1 | 5 | 2.0 | CN1C=CC2=C(C#N)C(N)C(C#N)(C#N)C(c3ccccc3)C2C1 | nan | ||
| 9581006 | 59388 | 2 | None | 12 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 379 | 5 | 2 | 6 | 3.0 | COC(=O)c1cnn(-c2ccccc2)c1/C=N/NC(=S)Nc1ccccc1 | nan | ||
| CHEMBL1709028 | 59388 | 2 | None | 12 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 379 | 5 | 2 | 6 | 3.0 | COC(=O)c1cnn(-c2ccccc2)c1/C=N/NC(=S)Nc1ccccc1 | nan | ||
| 18296 | 69862 | 4 | None | 6 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 379 | 4 | 0 | 3 | 6.1 | CCN1/C(=C/C(C)=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21 | nan | ||
| 5351211 | 69862 | 4 | None | 6 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 379 | 4 | 0 | 3 | 6.1 | CCN1/C(=C/C(C)=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21 | nan | ||
| 5474842 | 69862 | 4 | None | 6 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 379 | 4 | 0 | 3 | 6.1 | CCN1/C(=C/C(C)=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21 | nan | ||
| 6326610 | 69862 | 4 | None | 6 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 379 | 4 | 0 | 3 | 6.1 | CCN1/C(=C/C(C)=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21 | nan | ||
| CHEMBL193872 | 69862 | 4 | None | 6 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 379 | 4 | 0 | 3 | 6.1 | CCN1/C(=C/C(C)=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21 | nan | ||
| CHEMBL466853 | 69862 | 4 | None | 6 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 379 | 4 | 0 | 3 | 6.1 | CCN1/C(=C/C(C)=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21 | nan | ||
| 152550147 | 185328 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3cccc(F)c3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4859675 | 185328 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3cccc(F)c3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 154634315 | 184878 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1ccc(F)cc1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4852718 | 184878 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1ccc(F)cc1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 53257379 | 68061 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 363 | 1 | 0 | 4 | 5.0 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1Cl | 10.1021/jm200999f | ||
| CHEMBL1914580 | 68061 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 363 | 1 | 0 | 4 | 5.0 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1Cl | 10.1021/jm200999f | ||
| 53258793 | 68070 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 374 | 8 | 1 | 3 | 6.3 | CCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| CHEMBL1914589 | 68070 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 374 | 8 | 1 | 3 | 6.3 | CCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| 151271218 | 186155 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3ccc(F)cc3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4872368 | 186155 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3ccc(F)cc3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 4811966 | 43689 | 6 | None | 2 | 5 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 383 | 4 | 1 | 4 | 3.3 | CC(NC(=O)Cn1ncc(Cl)c(Cl)c1=O)C12CC3CC(CC(C3)C1)C2 | nan | ||
| CHEMBL1510156 | 43689 | 6 | None | 2 | 5 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 383 | 4 | 1 | 4 | 3.3 | CC(NC(=O)Cn1ncc(Cl)c(Cl)c1=O)C12CC3CC(CC(C3)C1)C2 | nan | ||
| 16103462 | 68069 | 19 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| CHEMBL1914588 | 68069 | 19 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| 145957901 | 162075 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4160729 | 162075 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145951357 | 162764 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1Cl | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4171772 | 162764 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1Cl | 10.1021/acsmedchemlett.7b00510 | ||
| 5602180 | 55506 | 5 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 334 | 1 | 1 | 2 | 4.1 | CC1(C)Cc2c(ccc3ccccc23)/C(=C/C(=O)N2CCCCC2)N1 | nan | ||
| CHEMBL1416442 | 55506 | 5 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 334 | 1 | 1 | 2 | 4.1 | CC1(C)Cc2c(ccc3ccccc23)/C(=C/C(=O)N2CCCCC2)N1 | nan | ||
| CHEMBL1620242 | 55506 | 5 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 334 | 1 | 1 | 2 | 4.1 | CC1(C)Cc2c(ccc3ccccc23)/C(=C/C(=O)N2CCCCC2)N1 | nan | ||
| 16195500 | 41731 | 9 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 441 | 4 | 2 | 5 | 4.9 | N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 | nan | ||
| CHEMBL1492565 | 41731 | 9 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 441 | 4 | 2 | 5 | 4.9 | N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 | nan | ||
| 9581008 | 59546 | 4 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 353 | 4 | 2 | 6 | 1.4 | CNC(=S)N/N=C/c1c(C(=O)OC)cnn1-c1ccc(F)cc1F | nan | ||
| CHEMBL1716874 | 59546 | 4 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 353 | 4 | 2 | 6 | 1.4 | CNC(=S)N/N=C/c1c(C(=O)OC)cnn1-c1ccc(F)cc1F | nan | ||
| 150386356 | 185146 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856916 | 185146 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 2963825 | 47702 | 10 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 382 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 | nan | ||
| CHEMBL1547464 | 47702 | 10 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 382 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 | nan | ||
| 2259994 | 41406 | 8 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 262 | 2 | 0 | 4 | 1.9 | CN1C(=O)/C(=C\c2ccc(N(C)C)cc2)OC1=S | nan | ||
| CHEMBL1490312 | 41406 | 8 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 262 | 2 | 0 | 4 | 1.9 | CN1C(=O)/C(=C\c2ccc(N(C)C)cc2)OC1=S | nan | ||
| 135549592 | 108442 | 5 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 369 | 7 | 4 | 6 | 1.4 | COc1ccc(/C=C\C(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)cc1 | nan | ||
| CHEMBL3198952 | 108442 | 5 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 369 | 7 | 4 | 6 | 1.4 | COc1ccc(/C=C\C(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)cc1 | nan | ||
| 1416931 | 23418 | 6 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.0 | O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 | nan | ||
| CHEMBL1333032 | 23418 | 6 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.0 | O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 | nan | ||
| 1348328 | 31786 | 7 | None | 16 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 436 | 8 | 2 | 5 | 4.4 | O=C(CCCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccc(C(=O)O)cc1 | nan | ||
| CHEMBL1406190 | 31786 | 7 | None | 16 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 436 | 8 | 2 | 5 | 4.4 | O=C(CCCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccc(C(=O)O)cc1 | nan | ||
| 5334489 | 45964 | 7 | None | 10 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 374 | 7 | 1 | 4 | 5.3 | CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(OC(C)C)c1 | nan | ||
| CHEMBL1532412 | 45964 | 7 | None | 10 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 374 | 7 | 1 | 4 | 5.3 | CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(OC(C)C)c1 | nan | ||
| 4137407 | 29812 | 4 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 3 | 1 | 7 | 4.6 | Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)Nc3ccc4c(c3)OCCO4)sc2n1 | nan | ||
| CHEMBL1387336 | 29812 | 4 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 3 | 1 | 7 | 4.6 | Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)Nc3ccc4c(c3)OCCO4)sc2n1 | nan | ||
| 152684818 | 184992 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2cc1O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4854346 | 184992 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2cc1O | 10.1021/acs.jmedchem.0c01624 | ||
| 5733585 | 40970 | 10 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 486 | 9 | 2 | 7 | 4.0 | COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1OC | nan | ||
| CHEMBL1487024 | 40970 | 10 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 486 | 9 | 2 | 7 | 4.0 | COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1OC | nan | ||
| 655684 | 41089 | 8 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 383 | 1 | 1 | 5 | 3.3 | CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccc(Cl)c3Cl)C2C1 | nan | ||
| CHEMBL1487918 | 41089 | 8 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 383 | 1 | 1 | 5 | 3.3 | CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccc(Cl)c3Cl)C2C1 | nan | ||
| 9990345 | 68065 | 35 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 199 | 0 | 0 | 4 | 1.9 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)C | 10.1021/jm200999f | ||
| CHEMBL1914584 | 68065 | 35 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 199 | 0 | 0 | 4 | 1.9 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)C | 10.1021/jm200999f | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm200999f | ||
| 6484583 | 37236 | 4 | None | -89 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 410 | 5 | 1 | 5 | 2.6 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1453578 | 37236 | 4 | None | -89 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 410 | 5 | 1 | 5 | 2.6 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1 | nan | ||
| 9581013 | 59710 | 4 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 351 | 4 | 2 | 6 | 1.7 | CNC(=S)N/N=C/c1c(C(=O)OC)cnn1-c1ccc(Cl)cc1 | nan | ||
| CHEMBL1723578 | 59710 | 4 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 351 | 4 | 2 | 6 | 1.7 | CNC(=S)N/N=C/c1c(C(=O)OC)cnn1-c1ccc(Cl)cc1 | nan | ||
| 1348329 | 26248 | 12 | None | 3 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 436 | 8 | 2 | 5 | 4.4 | O=C(CCCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(C(=O)O)cc1 | nan | ||
| CHEMBL1357976 | 26248 | 12 | None | 3 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 436 | 8 | 2 | 5 | 4.4 | O=C(CCCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(C(=O)O)cc1 | nan | ||
| 145952561 | 162959 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 3.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(C(F)(F)F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4174783 | 162959 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 3.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(C(F)(F)F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 13950957 | 157328 | 7 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 284 | 1 | 2 | 4 | 2.0 | O=C(O)c1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4077503 | 157328 | 7 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 284 | 1 | 2 | 4 | 2.0 | O=C(O)c1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 2961024 | 44931 | 6 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 452 | 8 | 2 | 4 | 5.7 | CCOc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 | nan | ||
| CHEMBL1523126 | 44931 | 6 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 452 | 8 | 2 | 4 | 5.7 | CCOc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 | nan | ||
| 149708825 | 186391 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3ccccc3F)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4875771 | 186391 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3ccccc3F)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 24792210 | 55191 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 5.0 | CN(C)c1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL1351967 | 55191 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 5.0 | CN(C)c1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL1617564 | 55191 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 5.0 | CN(C)c1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1 | nan | ||
| 145953959 | 162677 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 3.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(C(F)(F)F)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4170205 | 162677 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 411 | 3 | 2 | 4 | 3.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(C(F)(F)F)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 72652 | 34848 | 62 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 3.5 | O=c1cc(C(F)(F)F)c2cc3c4c(c2o1)CCCN4CCC3 | nan | ||
| CHEMBL1431610 | 34848 | 62 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 3.5 | O=c1cc(C(F)(F)F)c2cc3c4c(c2o1)CCCN4CCC3 | nan | ||
| 151577785 | 186553 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4878047 | 186553 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| 135475176 | 108024 | 9 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 387 | 2 | 1 | 4 | 5.1 | CC12CCC(C/C1=N\NC1=NC(=O)/C(=C\c3ccc(Cl)cc3)S1)C2(C)C | nan | ||
| 135517099 | 108024 | 9 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 387 | 2 | 1 | 4 | 5.1 | CC12CCC(C/C1=N\NC1=NC(=O)/C(=C\c3ccc(Cl)cc3)S1)C2(C)C | nan | ||
| CHEMBL3194571 | 108024 | 9 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 387 | 2 | 1 | 4 | 5.1 | CC12CCC(C/C1=N\NC1=NC(=O)/C(=C\c3ccc(Cl)cc3)S1)C2(C)C | nan | ||
| 2745687 | 933 | 31 | None | 10 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | nan | ||
| 9741 | 933 | 31 | None | 10 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | nan | ||
| CHEMBL1708510 | 933 | 31 | None | 10 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | nan | ||
| 1346721 | 29819 | 11 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 440 | 7 | 2 | 5 | 4.3 | Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 | nan | ||
| CHEMBL1387413 | 29819 | 11 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 440 | 7 | 2 | 5 | 4.3 | Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 | nan | ||
| 145956623 | 162013 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 3.0 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c(F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4159575 | 162013 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 3.0 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c(F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 3153499 | 32576 | 18 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 344 | 3 | 0 | 5 | 2.5 | CS(=O)(=O)N1N=C(c2ccccc2)CC1c1ccc2c(c1)OCO2 | nan | ||
| CHEMBL1412529 | 32576 | 18 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 344 | 3 | 0 | 5 | 2.5 | CS(=O)(=O)N1N=C(c2ccccc2)CC1c1ccc2c(c1)OCO2 | nan | ||
| 16196320 | 55059 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 353 | 3 | 0 | 3 | 4.4 | CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1CC1CCCO1 | nan | ||
| 3394229 | 55059 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 353 | 3 | 0 | 3 | 4.4 | CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1CC1CCCO1 | nan | ||
| 5813410 | 55059 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 353 | 3 | 0 | 3 | 4.4 | CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1CC1CCCO1 | nan | ||
| CHEMBL1308547 | 55059 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 353 | 3 | 0 | 3 | 4.4 | CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1CC1CCCO1 | nan | ||
| CHEMBL1616589 | 55059 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 353 | 3 | 0 | 3 | 4.4 | CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1CC1CCCO1 | nan | ||
| 1382708 | 29864 | 11 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.6 | O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1ccc(C(=O)O)cc1 | nan | ||
| CHEMBL1387749 | 29864 | 11 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.6 | O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1ccc(C(=O)O)cc1 | nan | ||
| 4362054 | 26091 | 7 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 495 | 9 | 2 | 8 | 4.3 | CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C(=O)O)cc2)cc1 | nan | ||
| CHEMBL1355774 | 26091 | 7 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 495 | 9 | 2 | 8 | 4.3 | CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C(=O)O)cc2)cc1 | nan | ||
| 152727536 | 184487 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 288 | 2 | 2 | 5 | 2.9 | O=C(O)c1cc2cc(-c3cccs3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4847144 | 184487 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 288 | 2 | 2 | 5 | 2.9 | O=C(O)c1cc2cc(-c3cccs3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 24761764 | 52813 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 387 | 5 | 1 | 3 | 4.3 | CC(NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccc(C(C)(C)C)cc1 | nan | ||
| CHEMBL1595152 | 52813 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 387 | 5 | 1 | 3 | 4.3 | CC(NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccc(C(C)(C)C)cc1 | nan | ||
| 16103482 | 68066 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 268 | 6 | 1 | 3 | 4.8 | CCCCCCc1c(C(=O)O)sc2ccsc12 | 10.1021/jm200999f | ||
| CHEMBL1914585 | 68066 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 268 | 6 | 1 | 3 | 4.8 | CCCCCCc1c(C(=O)O)sc2ccsc12 | 10.1021/jm200999f | ||
| 6518655 | 108807 | 7 | None | 2 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 528 | 7 | 1 | 7 | 5.5 | COc1ccc(/N=C2\S/C(=C\c3ccc(N4CCOCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 | nan | ||
| CHEMBL3209511 | 108807 | 7 | None | 2 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 528 | 7 | 1 | 7 | 5.5 | COc1ccc(/N=C2\S/C(=C\c3ccc(N4CCOCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 | nan | ||
| 154634327 | 184739 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(Br)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4850743 | 184739 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(Br)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 154634324 | 185711 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 384 | 3 | 2 | 7 | 3.0 | O=C(O)c1cc2c(oc1=O)c(-c1cccs1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4865638 | 185711 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 384 | 3 | 2 | 7 | 3.0 | O=C(O)c1cc2c(oc1=O)c(-c1cccs1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 164627011 | 186406 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 350 | 2 | 2 | 4 | 3.8 | Cc1c2nc(C(=O)O)cc(Cl)c2cc2c(Cl)cc(C(=O)O)nc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4876009 | 186406 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 350 | 2 | 2 | 4 | 3.8 | Cc1c2nc(C(=O)O)cc(Cl)c2cc2c(Cl)cc(C(=O)O)nc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634326 | 185092 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 404 | 2 | 2 | 8 | 1.5 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(-c3nnn[nH]3)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856029 | 185092 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 404 | 2 | 2 | 8 | 1.5 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(-c3nnn[nH]3)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 150386356 | 185146 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856916 | 185146 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 1382708 | 29864 | 11 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.6 | O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1ccc(C(=O)O)cc1 | nan | ||
| CHEMBL1387749 | 29864 | 11 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.6 | O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1ccc(C(=O)O)cc1 | nan | ||
| 2885134 | 44439 | 8 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 373 | 6 | 2 | 5 | 5.0 | CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1 | nan | ||
| CHEMBL1518827 | 44439 | 8 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 373 | 6 | 2 | 5 | 5.0 | CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1 | nan | ||
| 45917986 | 59355 | 7 | None | -6 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 314 | 2 | 0 | 4 | 4.4 | Cc1ccc(-c2nnc(C)c3nn(-c4ccc(C)cc4)cc23)cc1 | nan | ||
| CHEMBL1707517 | 59355 | 7 | None | -6 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 314 | 2 | 0 | 4 | 4.4 | Cc1ccc(-c2nnc(C)c3nn(-c4ccc(C)cc4)cc23)cc1 | nan | ||
| 2286888 | 41080 | 10 | None | 11 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 466 | 8 | 2 | 5 | 5.0 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O)=C\c1ccccc1 | nan | ||
| CHEMBL1487870 | 41080 | 10 | None | 11 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 466 | 8 | 2 | 5 | 5.0 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O)=C\c1ccccc1 | nan | ||
| 2247463 | 27593 | 9 | None | 15 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 515 | 8 | 3 | 7 | 4.6 | CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)s1 | nan | ||
| CHEMBL1369492 | 27593 | 9 | None | 15 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 515 | 8 | 3 | 7 | 4.6 | CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)s1 | nan | ||
| 154634328 | 185101 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 378 | 3 | 2 | 6 | 3.0 | O=C(O)c1cc2c(oc1=O)c(-c1ccccc1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856069 | 185101 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 378 | 3 | 2 | 6 | 3.0 | O=C(O)c1cc2c(oc1=O)c(-c1ccccc1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 152727536 | 184487 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 288 | 2 | 2 | 5 | 2.9 | O=C(O)c1cc2cc(-c3cccs3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4847144 | 184487 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 288 | 2 | 2 | 5 | 2.9 | O=C(O)c1cc2cc(-c3cccs3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 145954149 | 162599 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4169062 | 162599 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 2745687 | 933 | 31 | None | 10 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | nan | ||
| 9741 | 933 | 31 | None | 10 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | nan | ||
| CHEMBL1708510 | 933 | 31 | None | 10 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | nan | ||
| 8072340 | 55842 | 6 | None | -1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 263 | 2 | 1 | 0 | 3.8 | Cc1ccc2[nH]c(C)c(/C=C/c3cc[n+](C)cc3)c2c1 | nan | ||
| CHEMBL1517609 | 55842 | 6 | None | -1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 263 | 2 | 1 | 0 | 3.8 | Cc1ccc2[nH]c(C)c(/C=C/c3cc[n+](C)cc3)c2c1 | nan | ||
| CHEMBL1623159 | 55842 | 6 | None | -1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 263 | 2 | 1 | 0 | 3.8 | Cc1ccc2[nH]c(C)c(/C=C/c3cc[n+](C)cc3)c2c1 | nan | ||
| 1205881 | 36165 | 5 | None | 23 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.0 | O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 | nan | ||
| CHEMBL1444708 | 36165 | 5 | None | 23 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.0 | O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 | nan | ||
| 21337669 | 68063 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 239 | 0 | 0 | 4 | 2.9 | CC1=C(C#N)C(=C(C#N)C#N)OC12CCCCC2 | 10.1021/jm200999f | ||
| CHEMBL1914582 | 68063 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 239 | 0 | 0 | 4 | 2.9 | CC1=C(C#N)C(=C(C#N)C#N)OC12CCCCC2 | 10.1021/jm200999f | ||
| 1231538 | 27518 | 29 | None | -1 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 523 | 6 | 1 | 6 | 6.0 | O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | nan | ||
| CHEMBL1368962 | 27518 | 29 | None | -1 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 523 | 6 | 1 | 6 | 6.0 | O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | nan | ||
| 3596034 | 42329 | 6 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 308 | 2 | 0 | 4 | 3.0 | CCN1CCN(C2=CC3=CC(=C(C#N)C#N)CCC3CC2)CC1 | nan | ||
| CHEMBL1498210 | 42329 | 6 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 308 | 2 | 0 | 4 | 3.0 | CCN1CCN(C2=CC3=CC(=C(C#N)C#N)CCC3CC2)CC1 | nan | ||
| 9581010 | 59180 | 4 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 449 | 5 | 2 | 6 | 3.9 | COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)Nc1ccc(Cl)cc1 | nan | ||
| CHEMBL1700467 | 59180 | 4 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 449 | 5 | 2 | 6 | 3.9 | COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)Nc1ccc(Cl)cc1 | nan | ||
| 154634337 | 185333 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4859764 | 185333 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| 145971743 | 163104 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1F | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4177096 | 163104 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1F | 10.1021/acsmedchemlett.7b00510 | ||
| 9581010 | 59180 | 4 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 449 | 5 | 2 | 6 | 3.9 | COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)Nc1ccc(Cl)cc1 | nan | ||
| CHEMBL1700467 | 59180 | 4 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 449 | 5 | 2 | 6 | 3.9 | COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)Nc1ccc(Cl)cc1 | nan | ||
| 152684818 | 184992 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2cc1O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4854346 | 184992 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2cc1O | 10.1021/acs.jmedchem.0c01624 | ||
| 21157241 | 71881 | 5 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 381 | 5 | 1 | 5 | 2.3 | COc1ccc(/C=c2\s/c(=C/C(=O)c3ccc(C)cc3)[nH]c2=O)c(OC)c1 | nan | ||
| CHEMBL1970711 | 71881 | 5 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 381 | 5 | 1 | 5 | 2.3 | COc1ccc(/C=c2\s/c(=C/C(=O)c3ccc(C)cc3)[nH]c2=O)c(OC)c1 | nan | ||
| 1502520 | 34501 | 21 | None | -9 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 398 | 4 | 0 | 6 | 3.8 | Cc1ccc(Cn2ncc3c(N4CCN(c5ccccc5C)CC4)ncnc32)cc1 | nan | ||
| CHEMBL1428840 | 34501 | 21 | None | -9 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 398 | 4 | 0 | 6 | 3.8 | Cc1ccc(Cn2ncc3c(N4CCN(c5ccccc5C)CC4)ncnc32)cc1 | nan | ||
| 15945506 | 48021 | 6 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 417 | 5 | 1 | 4 | 5.8 | CC(=O)c1ccc(NC(=O)C(C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 | nan | ||
| CHEMBL1550295 | 48021 | 6 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 417 | 5 | 1 | 4 | 5.8 | CC(=O)c1ccc(NC(=O)C(C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 | nan | ||
| 154634326 | 185092 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 404 | 2 | 2 | 8 | 1.5 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(-c3nnn[nH]3)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856029 | 185092 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 404 | 2 | 2 | 8 | 1.5 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(-c3nnn[nH]3)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634321 | 185997 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4870213 | 185997 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 152243845 | 184899 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 324 | 3 | 2 | 4 | 4.0 | CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4853043 | 184899 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 324 | 3 | 2 | 4 | 4.0 | CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 2770749 | 56029 | 4 | None | 1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 281 | 4 | 0 | 1 | 3.9 | CN(C)/C=C/C=C/C=C/C1=[N+](C)c2ccccc2C1(C)C | nan | ||
| 5708223 | 56029 | 4 | None | 1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 281 | 4 | 0 | 1 | 3.9 | CN(C)/C=C/C=C/C=C/C1=[N+](C)c2ccccc2C1(C)C | nan | ||
| 5830170 | 56029 | 4 | None | 1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 281 | 4 | 0 | 1 | 3.9 | CN(C)/C=C/C=C/C=C/C1=[N+](C)c2ccccc2C1(C)C | nan | ||
| CHEMBL1572785 | 56029 | 4 | None | 1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 281 | 4 | 0 | 1 | 3.9 | CN(C)/C=C/C=C/C=C/C1=[N+](C)c2ccccc2C1(C)C | nan | ||
| CHEMBL1624721 | 56029 | 4 | None | 1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 281 | 4 | 0 | 1 | 3.9 | CN(C)/C=C/C=C/C=C/C1=[N+](C)c2ccccc2C1(C)C | nan | ||
| 53258796 | 68072 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 444 | 13 | 1 | 3 | 8.3 | CCCCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| CHEMBL1914591 | 68072 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 444 | 13 | 1 | 3 | 8.3 | CCCCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| 2277094 | 49016 | 10 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 470 | 7 | 2 | 7 | 3.7 | O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(=O)O)c1 | nan | ||
| CHEMBL1560901 | 49016 | 10 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 470 | 7 | 2 | 7 | 3.7 | O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(=O)O)c1 | nan | ||
| 11674067 | 68059 | 28 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 315 | 1 | 0 | 4 | 3.6 | CC1=C(C#N)C(=C(C#N)C#N)OC1(c1ccccc1)C(F)(F)F | 10.1021/jm200999f | ||
| CHEMBL1914578 | 68059 | 28 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 315 | 1 | 0 | 4 | 3.6 | CC1=C(C#N)C(=C(C#N)C#N)OC1(c1ccccc1)C(F)(F)F | 10.1021/jm200999f | ||
| 2526579 | 54767 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 423 | 12 | 1 | 7 | 5.0 | CCN(CC)CCCNc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cn1 | nan | ||
| CHEMBL1612267 | 54767 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 423 | 12 | 1 | 7 | 5.0 | CCN(CC)CCCNc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cn1 | nan | ||
| 6489901 | 56163 | 4 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 289 | 4 | 0 | 1 | 4.1 | C=CCn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21 | nan | ||
| CHEMBL1576905 | 56163 | 4 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 289 | 4 | 0 | 1 | 4.1 | C=CCn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21 | nan | ||
| CHEMBL1626041 | 56163 | 4 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 289 | 4 | 0 | 1 | 4.1 | C=CCn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21 | nan | ||
| 326869 | 112811 | 5 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 314 | 2 | 4 | 4 | 1.1 | Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL3306990 | 112811 | 5 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 314 | 2 | 4 | 4 | 1.1 | Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634321 | 185997 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4870213 | 185997 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634332 | 185127 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856506 | 185127 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 68324914 | 185731 | 38 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 284 | 2 | 2 | 5 | 3.6 | O=C(O)c1cc2sc3cc(C(=O)O)sc3c2s1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4865971 | 185731 | 38 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 284 | 2 | 2 | 5 | 3.6 | O=C(O)c1cc2sc3cc(C(=O)O)sc3c2s1 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634328 | 185101 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 378 | 3 | 2 | 6 | 3.0 | O=C(O)c1cc2c(oc1=O)c(-c1ccccc1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856069 | 185101 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 378 | 3 | 2 | 6 | 3.0 | O=C(O)c1cc2c(oc1=O)c(-c1ccccc1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 145958495 | 162198 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 349 | 3 | 2 | 4 | 3.1 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)C1CCCCC1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4162653 | 162198 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 349 | 3 | 2 | 4 | 3.1 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)C1CCCCC1 | 10.1021/acsmedchemlett.7b00510 | ||
| 150149078 | 186344 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 282 | 2 | 2 | 4 | 2.9 | O=C(O)c1cc2cc(-c3ccccc3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4875041 | 186344 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 282 | 2 | 2 | 4 | 2.9 | O=C(O)c1cc2cc(-c3ccccc3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 5144920 | 21348 | 3 | None | 1 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 424 | 3 | 1 | 7 | 4.3 | Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2ncnc(N3CCC(C)CC3)c12 | nan | ||
| CHEMBL1314099 | 21348 | 3 | None | 1 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 424 | 3 | 1 | 7 | 4.3 | Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2ncnc(N3CCC(C)CC3)c12 | nan | ||
| 4557537 | 38098 | 4 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 424 | 3 | 1 | 7 | 4.3 | Cc1nc(N2CCCCC2)c2c(C)c(C(=O)Nc3ccc4c(c3)OCCO4)sc2n1 | nan | ||
| CHEMBL1460894 | 38098 | 4 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 424 | 3 | 1 | 7 | 4.3 | Cc1nc(N2CCCCC2)c2c(C)c(C(=O)Nc3ccc4c(c3)OCCO4)sc2n1 | nan | ||
| 6203183 | 52352 | 8 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 486 | 7 | 3 | 8 | 3.4 | O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)c(O)c1 | nan | ||
| CHEMBL1589711 | 52352 | 8 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 486 | 7 | 3 | 8 | 3.4 | O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)c(O)c1 | nan | ||
| 6876400 | 72989 | 5 | None | 3 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 448 | 8 | 2 | 6 | 5.0 | CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 | nan | ||
| CHEMBL2007593 | 72989 | 5 | None | 3 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 448 | 8 | 2 | 6 | 5.0 | CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 | nan | ||
| 154634324 | 185711 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 384 | 3 | 2 | 7 | 3.0 | O=C(O)c1cc2c(oc1=O)c(-c1cccs1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4865638 | 185711 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 384 | 3 | 2 | 7 | 3.0 | O=C(O)c1cc2c(oc1=O)c(-c1cccs1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 145958540 | 162270 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4163894 | 162270 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145952912 | 162444 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4166473 | 162444 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 361 | 3 | 2 | 4 | 3.0 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(F)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 9581015 | 59399 | 4 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 413 | 5 | 2 | 6 | 3.6 | COC(=O)c1cnn(-c2ccc(Cl)cc2)c1/C=N/NC(=S)Nc1ccccc1 | nan | ||
| CHEMBL1709632 | 59399 | 4 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 413 | 5 | 2 | 6 | 3.6 | COC(=O)c1cnn(-c2ccc(Cl)cc2)c1/C=N/NC(=S)Nc1ccccc1 | nan | ||
| 3243122 | 46404 | 7 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 421 | 3 | 0 | 5 | 4.6 | COc1ccc2nc3oc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3cc2c1 | nan | ||
| CHEMBL1536710 | 46404 | 7 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 421 | 3 | 0 | 5 | 4.6 | COc1ccc2nc3oc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3cc2c1 | nan | ||
| 5731274 | 52350 | 9 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 468 | 8 | 1 | 6 | 4.8 | CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 | nan | ||
| CHEMBL1589694 | 52350 | 9 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 468 | 8 | 1 | 6 | 4.8 | CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 | nan | ||
| 21337670 | 68060 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 321 | 0 | 0 | 4 | 4.1 | CC1=C(C#N)C(=C(C#N)C#N)OC12c1ccccc1-c1ccccc12 | 10.1021/jm200999f | ||
| CHEMBL1914579 | 68060 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 321 | 0 | 0 | 4 | 4.1 | CC1=C(C#N)C(=C(C#N)C#N)OC12c1ccccc1-c1ccccc12 | 10.1021/jm200999f | ||
| 8108341 | 37629 | 6 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 364 | 7 | 1 | 3 | 5.1 | O=C(O)COc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1 | nan | ||
| CHEMBL1457048 | 37629 | 6 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 364 | 7 | 1 | 3 | 5.1 | O=C(O)COc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1 | nan | ||
| 720233 | 50191 | 39 | None | 2 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 288 | 2 | 0 | 3 | 3.3 | O=c1c(Cl)c(Cl)cnn1Cc1ccccc1Cl | nan | ||
| CHEMBL1570760 | 50191 | 39 | None | 2 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 288 | 2 | 0 | 3 | 3.3 | O=c1c(Cl)c(Cl)cnn1Cc1ccccc1Cl | nan | ||
| 9581015 | 59399 | 4 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 413 | 5 | 2 | 6 | 3.6 | COC(=O)c1cnn(-c2ccc(Cl)cc2)c1/C=N/NC(=S)Nc1ccccc1 | nan | ||
| CHEMBL1709632 | 59399 | 4 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 413 | 5 | 2 | 6 | 3.6 | COC(=O)c1cnn(-c2ccc(Cl)cc2)c1/C=N/NC(=S)Nc1ccccc1 | nan | ||
| 154634314 | 186609 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2c2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4878979 | 186609 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2c2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 3420390 | 178610 | 5 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 474 | 8 | 2 | 5 | 1.6 | NS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1 | nan | ||
| CHEMBL467373 | 178610 | 5 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 474 | 8 | 2 | 5 | 1.6 | NS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1 | nan | ||
| 151577785 | 186553 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4878047 | 186553 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 312 | 3 | 2 | 5 | 2.9 | COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| 5513575 | 42727 | 7 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 441 | 4 | 2 | 5 | 4.9 | N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 | nan | ||
| CHEMBL1501743 | 42727 | 7 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 441 | 4 | 2 | 5 | 4.9 | N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 | nan | ||
| 9581008 | 59546 | 4 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 353 | 4 | 2 | 6 | 1.4 | CNC(=S)N/N=C/c1c(C(=O)OC)cnn1-c1ccc(F)cc1F | nan | ||
| CHEMBL1716874 | 59546 | 4 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 353 | 4 | 2 | 6 | 1.4 | CNC(=S)N/N=C/c1c(C(=O)OC)cnn1-c1ccc(F)cc1F | nan | ||
| 4623233 | 60047 | 7 | None | -12 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 320 | 2 | 0 | 4 | 4.4 | Cc1nnc(-c2ccccc2)c2cn(-c3ccc(Cl)cc3)nc12 | nan | ||
| CHEMBL1736438 | 60047 | 7 | None | -12 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 320 | 2 | 0 | 4 | 4.4 | Cc1nnc(-c2ccccc2)c2cn(-c3ccc(Cl)cc3)nc12 | nan | ||
| 16193843 | 46079 | 6 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 412 | 3 | 1 | 7 | 3.8 | CC(C)CSC1=NSC2=NC(=O)/C(=C\c3coc4ccccc4c3=O)C(=N)N12 | nan | ||
| CHEMBL1533415 | 46079 | 6 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 412 | 3 | 1 | 7 | 3.8 | CC(C)CSC1=NSC2=NC(=O)/C(=C\c3coc4ccccc4c3=O)C(=N)N12 | nan | ||
| 2286812 | 29466 | 35 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 482 | 8 | 3 | 6 | 4.7 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | nan | ||
| CHEMBL1384502 | 29466 | 35 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 482 | 8 | 3 | 6 | 4.7 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | nan | ||
| 5768597 | 20771 | 6 | None | 3 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 320 | 3 | 1 | 5 | 3.1 | N#C/C(=C/c1ccc(N2CCOCC2)o1)c1nc2ccccc2[nH]1 | nan | ||
| CHEMBL1309475 | 20771 | 6 | None | 3 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 320 | 3 | 1 | 5 | 3.1 | N#C/C(=C/c1ccc(N2CCOCC2)o1)c1nc2ccccc2[nH]1 | nan | ||
| 12005127 | 44806 | 4 | None | -3 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 333 | 6 | 0 | 4 | 4.6 | COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OCc1ccccc1Cl | nan | ||
| CHEMBL1521989 | 44806 | 4 | None | -3 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 333 | 6 | 0 | 4 | 4.6 | COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OCc1ccccc1Cl | nan | ||
| 9581008 | 59546 | 4 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 353 | 4 | 2 | 6 | 1.4 | CNC(=S)N/N=C/c1c(C(=O)OC)cnn1-c1ccc(F)cc1F | nan | ||
| CHEMBL1716874 | 59546 | 4 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 353 | 4 | 2 | 6 | 1.4 | CNC(=S)N/N=C/c1c(C(=O)OC)cnn1-c1ccc(F)cc1F | nan | ||
| 154634318 | 185999 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 318 | 2 | 3 | 7 | 1.0 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(O)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4870255 | 185999 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 318 | 2 | 3 | 7 | 1.0 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(O)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 164627011 | 186406 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 350 | 2 | 2 | 4 | 3.8 | Cc1c2nc(C(=O)O)cc(Cl)c2cc2c(Cl)cc(C(=O)O)nc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4876009 | 186406 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 350 | 2 | 2 | 4 | 3.8 | Cc1c2nc(C(=O)O)cc(Cl)c2cc2c(Cl)cc(C(=O)O)nc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 1346847 | 21201 | 8 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 412 | 6 | 2 | 5 | 4.3 | Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 | nan | ||
| CHEMBL1312928 | 21201 | 8 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 412 | 6 | 2 | 5 | 4.3 | Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 | nan | ||
| 154634322 | 185380 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 307 | 1 | 1 | 8 | 1.0 | N#Cc1cc2c(ccc3cc(-c4nnn[nH]4)c(=O)oc32)oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4860550 | 185380 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 307 | 1 | 1 | 8 | 1.0 | N#Cc1cc2c(ccc3cc(-c4nnn[nH]4)c(=O)oc32)oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 6109309 | 29981 | 3 | None | 3 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 355 | 5 | 1 | 4 | 4.0 | CC(NC(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 | nan | ||
| CHEMBL1388639 | 29981 | 3 | None | 3 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 355 | 5 | 1 | 4 | 4.0 | CC(NC(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 | nan | ||
| 6622007 | 39042 | 7 | None | -9 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 489 | 3 | 2 | 7 | 4.6 | CC(C)(C)OC(=O)N1CCC(c2cc(O)n3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c3n2)CC1 | nan | ||
| CHEMBL1468612 | 39042 | 7 | None | -9 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 489 | 3 | 2 | 7 | 4.6 | CC(C)(C)OC(=O)N1CCC(c2cc(O)n3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c3n2)CC1 | nan | ||
| 4798059 | 31925 | 10 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 296 | 4 | 1 | 3 | 4.3 | COc1ccc2nc(C)cc(NCc3ccc(F)cc3)c2c1 | nan | ||
| CHEMBL1407436 | 31925 | 10 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 296 | 4 | 1 | 3 | 4.3 | COc1ccc2nc(C)cc(NCc3ccc(F)cc3)c2c1 | nan | ||
| 154634335 | 184483 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1cccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4847100 | 184483 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1cccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634323 | 184604 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4848949 | 184604 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 145971442 | 163027 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4175848 | 163027 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145953203 | 162538 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 403 | 5 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1OC | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4167991 | 162538 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 403 | 5 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1OC | 10.1021/acsmedchemlett.7b00510 | ||
| 145955027 | 162540 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 349 | 3 | 2 | 5 | 2.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccs1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4168042 | 162540 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 349 | 3 | 2 | 5 | 2.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccs1 | 10.1021/acsmedchemlett.7b00510 | ||
| 6226024 | 45669 | 7 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 442 | 7 | 3 | 6 | 3.7 | O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 | nan | ||
| CHEMBL1529781 | 45669 | 7 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 442 | 7 | 3 | 6 | 3.7 | O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 | nan | ||
| 154634336 | 186068 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4871203 | 186068 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634316 | 186342 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 426 | 4 | 2 | 7 | 3.1 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c(F)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4875009 | 186342 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 426 | 4 | 2 | 7 | 3.1 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c(F)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| 759209 | 35971 | 10 | None | -1 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 259 | 1 | 0 | 3 | 3.5 | Cc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O | nan | ||
| CHEMBL1442788 | 35971 | 10 | None | -1 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 259 | 1 | 0 | 3 | 3.5 | Cc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O | nan | ||
| 648447 | 38800 | 7 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 375 | 3 | 1 | 7 | 2.1 | COc1cccc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC | nan | ||
| CHEMBL1466582 | 38800 | 7 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 375 | 3 | 1 | 7 | 2.1 | COc1cccc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC | nan | ||
| 1527596 | 43088 | 10 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 448 | 7 | 2 | 7 | 4.9 | CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1 | nan | ||
| CHEMBL1504949 | 43088 | 10 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 448 | 7 | 2 | 7 | 4.9 | CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1 | nan | ||
| 4406525 | 38434 | 5 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 294 | 1 | 0 | 4 | 2.6 | CN1CCN(C2=CC3=CC(=C(C#N)C#N)CCC3CC2)CC1 | nan | ||
| CHEMBL1463795 | 38434 | 5 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 294 | 1 | 0 | 4 | 2.6 | CN1CCN(C2=CC3=CC(=C(C#N)C#N)CCC3CC2)CC1 | nan | ||
| 45489602 | 59275 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 295 | 4 | 2 | 5 | 2.1 | COc1ccc(C(=O)Nc2ccccc2-c2nn[nH]n2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL1704189 | 59275 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 295 | 4 | 2 | 5 | 2.1 | COc1ccc(C(=O)Nc2ccccc2-c2nn[nH]n2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145971240 | 163087 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 309 | 3 | 2 | 4 | 2.2 | CC(C)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4176719 | 163087 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 309 | 3 | 2 | 4 | 2.2 | CC(C)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 164610101 | 184875 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 342 | 4 | 2 | 6 | 2.5 | COc1cc(C(=O)O)nc2c(C)c3nc(C(=O)O)cc(OC)c3cc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4852667 | 184875 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 342 | 4 | 2 | 6 | 2.5 | COc1cc(C(=O)O)nc2c(C)c3nc(C(=O)O)cc(OC)c3cc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 1214651 | 59574 | 9 | None | -42 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 414 | 2 | 0 | 4 | 5.7 | Cc1nnc(-c2cccc3ccccc23)c2cn(-c3cccc(Br)c3)nc12 | nan | ||
| CHEMBL1718220 | 59574 | 9 | None | -42 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 414 | 2 | 0 | 4 | 5.7 | Cc1nnc(-c2cccc3ccccc23)c2cn(-c3cccc(Br)c3)nc12 | nan | ||
| 154634327 | 184739 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(Br)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4850743 | 184739 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(Br)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 6619478 | 25937 | 3 | None | -9 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 501 | 4 | 2 | 8 | 4.5 | COc1ccc(NC(=O)c2cnn3c(O)cc(C4CCN(C(=O)OC(C)(C)C)CC4)nc23)cc1Cl | nan | ||
| CHEMBL1354041 | 25937 | 3 | None | -9 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 501 | 4 | 2 | 8 | 4.5 | COc1ccc(NC(=O)c2cnn3c(O)cc(C4CCN(C(=O)OC(C)(C)C)CC4)nc23)cc1Cl | nan | ||
| 154634337 | 185333 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4859764 | 185333 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1cccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| 164627011 | 186406 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 350 | 2 | 2 | 4 | 3.8 | Cc1c2nc(C(=O)O)cc(Cl)c2cc2c(Cl)cc(C(=O)O)nc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4876009 | 186406 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 350 | 2 | 2 | 4 | 3.8 | Cc1c2nc(C(=O)O)cc(Cl)c2cc2c(Cl)cc(C(=O)O)nc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 1024 | 16488 | 106 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 330 | 3 | 4 | 6 | 0.6 | O=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL1235421 | 16488 | 106 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 330 | 3 | 4 | 6 | 0.6 | O=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634320 | 186610 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 302 | 2 | 2 | 6 | 1.3 | O=C(O)c1cc2c(ccc3cc(C(=O)O)c(=O)oc32)oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4879017 | 186610 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 302 | 2 | 2 | 6 | 1.3 | O=C(O)c1cc2c(ccc3cc(C(=O)O)c(=O)oc32)oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 154634331 | 184548 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 420 | 4 | 2 | 6 | 4.1 | CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4848109 | 184548 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 420 | 4 | 2 | 6 | 4.1 | CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 145952453 | 162788 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 343 | 3 | 2 | 4 | 2.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4172188 | 162788 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 343 | 3 | 2 | 4 | 2.9 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 14286542 | 72220 | 3 | None | -4 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 401 | 2 | 3 | 4 | 2.9 | CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)C23C(=O)NC(CC(C)C)C3C1C | nan | ||
| CHEMBL1981103 | 72220 | 3 | None | -4 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 401 | 2 | 3 | 4 | 2.9 | CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)C23C(=O)NC(CC(C)C)C3C1C | nan | ||
| 9581005 | 59631 | 2 | None | 21 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 359 | 4 | 2 | 6 | 2.3 | COC(=O)c1cnn(-c2ccccc2)c1/C=N/NC(=S)NC(C)(C)C | nan | ||
| CHEMBL1720530 | 59631 | 2 | None | 21 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 359 | 4 | 2 | 6 | 2.3 | COC(=O)c1cnn(-c2ccccc2)c1/C=N/NC(=S)NC(C)(C)C | nan | ||
| 135650717 | 108212 | 5 | None | -2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 374 | 4 | 3 | 6 | 4.3 | Oc1ccc(/C=N/Nc2nc(-c3ccccc3F)nc3ccccc23)c(O)c1 | nan | ||
| CHEMBL3196703 | 108212 | 5 | None | -2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 374 | 4 | 3 | 6 | 4.3 | Oc1ccc(/C=N/Nc2nc(-c3ccccc3F)nc3ccccc23)c(O)c1 | nan | ||
| 6226345 | 31145 | 8 | None | 4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.9 | CCCCN1C(=O)NC(=O)/C(=C(O)\C=C\c2c[nH]c3ccccc23)C1=O | nan | ||
| CHEMBL1400236 | 31145 | 8 | None | 4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.9 | CCCCN1C(=O)NC(=O)/C(=C(O)\C=C\c2c[nH]c3ccccc23)C1=O | nan | ||
| 2868490 | 54317 | 11 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 354 | 3 | 0 | 3 | 5.6 | COc1ccc(C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1OC | nan | ||
| CHEMBL1608333 | 54317 | 11 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 354 | 3 | 0 | 3 | 5.6 | COc1ccc(C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1OC | nan | ||
| 9581007 | 59270 | 2 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 413 | 5 | 2 | 6 | 3.6 | COC(=O)c1cnn(-c2ccccc2)c1/C=N/NC(=S)Nc1ccc(Cl)cc1 | nan | ||
| CHEMBL1704074 | 59270 | 2 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 413 | 5 | 2 | 6 | 3.6 | COC(=O)c1cnn(-c2ccccc2)c1/C=N/NC(=S)Nc1ccc(Cl)cc1 | nan | ||
| 16437205 | 32003 | 9 | None | -2 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 486 | 6 | 1 | 7 | 2.7 | CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 | nan | ||
| CHEMBL1407961 | 32003 | 9 | None | -2 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 486 | 6 | 1 | 7 | 2.7 | CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 | nan | ||
| 1416931 | 23418 | 6 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.0 | O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 | nan | ||
| CHEMBL1333032 | 23418 | 6 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.0 | O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 | nan | ||
| 150149078 | 186344 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 282 | 2 | 2 | 4 | 2.9 | O=C(O)c1cc2cc(-c3ccccc3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4875041 | 186344 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 282 | 2 | 2 | 4 | 2.9 | O=C(O)c1cc2cc(-c3ccccc3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 12533774 | 185518 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 316 | 2 | 2 | 6 | 1.6 | Cc1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4862654 | 185518 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 316 | 2 | 2 | 6 | 1.6 | Cc1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634316 | 186342 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 426 | 4 | 2 | 7 | 3.1 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c(F)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4875009 | 186342 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 426 | 4 | 2 | 7 | 3.1 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)c(F)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| 24792182 | 55084 | 0 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 417 | 6 | 1 | 5 | 5.2 | COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2ccc(N(C)C)cc2)s1 | nan | ||
| CHEMBL1306983 | 55084 | 0 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 417 | 6 | 1 | 5 | 5.2 | COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2ccc(N(C)C)cc2)s1 | nan | ||
| CHEMBL1616747 | 55084 | 0 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 417 | 6 | 1 | 5 | 5.2 | COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2ccc(N(C)C)cc2)s1 | nan | ||
| 57134579 | 162632 | 18 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 239 | 1 | 2 | 4 | 1.2 | Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4169520 | 162632 | 18 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 239 | 1 | 2 | 4 | 1.2 | Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145974046 | 163012 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1cccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4175617 | 163012 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1cccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 13950957 | 157328 | 7 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 284 | 1 | 2 | 4 | 2.0 | O=C(O)c1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4077503 | 157328 | 7 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 284 | 1 | 2 | 4 | 2.0 | O=C(O)c1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 9581012 | 59588 | 4 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 415 | 5 | 2 | 6 | 3.3 | COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)Nc1ccccc1 | nan | ||
| CHEMBL1718866 | 59588 | 4 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 415 | 5 | 2 | 6 | 3.3 | COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)Nc1ccccc1 | nan | ||
| 6393553 | 47086 | 6 | None | 5 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 | nan | ||
| CHEMBL1542492 | 47086 | 6 | None | 5 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 | nan | ||
| 145952039 | 162808 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4172440 | 162808 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 2269231 | 45920 | 10 | None | 13 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 470 | 7 | 2 | 7 | 3.7 | O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)cc1 | nan | ||
| CHEMBL1532025 | 45920 | 10 | None | 13 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 470 | 7 | 2 | 7 | 3.7 | O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)cc1 | nan | ||
| 145959908 | 162062 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1Cl | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4160515 | 162062 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccccc1Cl | 10.1021/acsmedchemlett.7b00510 | ||
| 9581013 | 59710 | 4 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 351 | 4 | 2 | 6 | 1.7 | CNC(=S)N/N=C/c1c(C(=O)OC)cnn1-c1ccc(Cl)cc1 | nan | ||
| CHEMBL1723578 | 59710 | 4 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 351 | 4 | 2 | 6 | 1.7 | CNC(=S)N/N=C/c1c(C(=O)OC)cnn1-c1ccc(Cl)cc1 | nan | ||
| 12533774 | 185518 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 316 | 2 | 2 | 6 | 1.6 | Cc1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4862654 | 185518 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 316 | 2 | 2 | 6 | 1.6 | Cc1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 2841621 | 27700 | 7 | None | 2 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 354 | 4 | 0 | 4 | 3.8 | CCOC(=O)C1=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O | nan | ||
| CHEMBL1370183 | 27700 | 7 | None | 2 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 354 | 4 | 0 | 4 | 3.8 | CCOC(=O)C1=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O | nan | ||
| 154634320 | 186610 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 302 | 2 | 2 | 6 | 1.3 | O=C(O)c1cc2c(ccc3cc(C(=O)O)c(=O)oc32)oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4879017 | 186610 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 302 | 2 | 2 | 6 | 1.3 | O=C(O)c1cc2c(ccc3cc(C(=O)O)c(=O)oc32)oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 154634334 | 185425 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1ccccc1F)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4861414 | 185425 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1ccccc1F)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 145950576 | 162879 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 333 | 3 | 2 | 5 | 2.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccco1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4173352 | 162879 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 333 | 3 | 2 | 5 | 2.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccco1 | 10.1021/acsmedchemlett.7b00510 | ||
| 56646802 | 68058 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 351 | 1 | 0 | 4 | 3.8 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1c(F)c(F)c(F)c(F)c1F | 10.1021/jm200999f | ||
| CHEMBL1914577 | 68058 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 351 | 1 | 0 | 4 | 3.8 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1c(F)c(F)c(F)c(F)c1F | 10.1021/jm200999f | ||
| 5346366 | 41498 | 6 | None | 2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 489 | 6 | 1 | 6 | 5.3 | O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | nan | ||
| CHEMBL1490915 | 41498 | 6 | None | 2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 489 | 6 | 1 | 6 | 5.3 | O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | nan | ||
| 154634333 | 185215 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 352 | 2 | 2 | 6 | 2.4 | O=C(O)c1cc2c3ccccc3c3cc(C(=O)O)c(=O)oc3c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4857772 | 185215 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 352 | 2 | 2 | 6 | 2.4 | O=C(O)c1cc2c3ccccc3c3cc(C(=O)O)c(=O)oc3c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 9581014 | 59996 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 337 | 4 | 2 | 6 | 1.5 | COC(=O)c1cnn(-c2ccc(Cl)cc2)c1/C=N/NC(N)=S | nan | ||
| CHEMBL1734603 | 59996 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 337 | 4 | 2 | 6 | 1.5 | COC(=O)c1cnn(-c2ccc(Cl)cc2)c1/C=N/NC(N)=S | nan | ||
| 53258899 | 68067 | 1 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 268 | 6 | 1 | 3 | 4.8 | CCCCCCc1csc2cc(C(=O)O)sc12 | 10.1021/jm200999f | ||
| CHEMBL1914586 | 68067 | 1 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 268 | 6 | 1 | 3 | 4.8 | CCCCCCc1csc2cc(C(=O)O)sc12 | 10.1021/jm200999f | ||
| 152243845 | 184899 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 324 | 3 | 2 | 4 | 4.0 | CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4853043 | 184899 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 324 | 3 | 2 | 4 | 4.0 | CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3cc2O)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634332 | 185127 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856506 | 185127 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634330 | 185952 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1cccc(F)c1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4869539 | 185952 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1cccc(F)c1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 1214658 | 59473 | 9 | None | -4 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 392 | 4 | 0 | 5 | 5.5 | COc1ccc(-n2cc3c(-c4ccc(-c5ccccc5)cc4)nnc(C)c3n2)cc1 | nan | ||
| CHEMBL1713756 | 59473 | 9 | None | -4 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 392 | 4 | 0 | 5 | 5.5 | COc1ccc(-n2cc3c(-c4ccc(-c5ccccc5)cc4)nnc(C)c3n2)cc1 | nan | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.0c01624 | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.0c01624 | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634321 | 185997 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4870213 | 185997 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634336 | 186068 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4871203 | 186068 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1c2oc(=O)c(C(=O)O)cc2cc2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634314 | 186609 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2c2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4878979 | 186609 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2c2cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 145955278 | 162559 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(Cl)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4168406 | 162559 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 377 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1cccc(Cl)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 21337671 | 68064 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 297 | 1 | 0 | 4 | 3.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(F)cc1F | 10.1021/jm200999f | ||
| CHEMBL1914583 | 68064 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 297 | 1 | 0 | 4 | 3.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(F)cc1F | 10.1021/jm200999f | ||
| 68324914 | 185731 | 38 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 284 | 2 | 2 | 5 | 3.6 | O=C(O)c1cc2sc3cc(C(=O)O)sc3c2s1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4865971 | 185731 | 38 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 284 | 2 | 2 | 5 | 3.6 | O=C(O)c1cc2sc3cc(C(=O)O)sc3c2s1 | 10.1021/acs.jmedchem.0c01624 | ||
| 7424594 | 52989 | 4 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 375 | 5 | 1 | 3 | 5.3 | O=C(/C=C/c1ccco1)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 | nan | ||
| CHEMBL1596753 | 52989 | 4 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 375 | 5 | 1 | 3 | 5.3 | O=C(/C=C/c1ccco1)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 | nan | ||
| 145959592 | 162350 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4164993 | 162350 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 6202912 | 48209 | 8 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 502 | 9 | 3 | 8 | 3.7 | COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1OC | nan | ||
| CHEMBL1552304 | 48209 | 8 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 502 | 9 | 3 | 8 | 3.7 | COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1OC | nan | ||
| 1477048 | 29734 | 19 | None | 23 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 438 | 5 | 0 | 5 | 4.3 | CN(C)/C=C/C(=O)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 | nan | ||
| CHEMBL1386711 | 29734 | 19 | None | 23 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 438 | 5 | 0 | 5 | 4.3 | CN(C)/C=C/C(=O)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 | nan | ||
| 5936070 | 34053 | 9 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 427 | 4 | 1 | 4 | 6.4 | CC(=O)Nc1sc(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)nc1-c1ccc(C)cc1 | nan | ||
| CHEMBL1424929 | 34053 | 9 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 427 | 4 | 1 | 4 | 6.4 | CC(=O)Nc1sc(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)nc1-c1ccc(C)cc1 | nan | ||
| 154634323 | 184604 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4848949 | 184604 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 151271218 | 186155 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3ccc(F)cc3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4872368 | 186155 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3ccc(F)cc3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 1609318 | 42631 | 10 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 297 | 12 | 2 | 4 | 3.4 | C=CCCCCCCCCc1nc(SCC(=O)O)n[nH]1 | nan | ||
| CHEMBL1500763 | 42631 | 10 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 297 | 12 | 2 | 4 | 3.4 | C=CCCCCCCCCc1nc(SCC(=O)O)n[nH]1 | nan | ||
| 282594 | 45347 | 17 | None | -2 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 331 | 2 | 0 | 3 | 3.7 | CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)C1CCCCC1 | nan | ||
| CHEMBL1526855 | 45347 | 17 | None | -2 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 331 | 2 | 0 | 3 | 3.7 | CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)C1CCCCC1 | nan | ||
| 5334290 | 25923 | 10 | None | 7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 388 | 7 | 1 | 4 | 5.6 | CCN(CC)c1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c(OC(C)C)c1 | nan | ||
| CHEMBL1353925 | 25923 | 10 | None | 7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 388 | 7 | 1 | 4 | 5.6 | CCN(CC)c1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c(OC(C)C)c1 | nan | ||
| 4189659 | 28053 | 5 | None | 6 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 493 | 8 | 2 | 7 | 5.1 | CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C(=O)O)cc2)cc1 | nan | ||
| CHEMBL1372770 | 28053 | 5 | None | 6 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 493 | 8 | 2 | 7 | 5.1 | CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C(=O)O)cc2)cc1 | nan | ||
| 2269231 | 45920 | 10 | None | 13 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 470 | 7 | 2 | 7 | 3.7 | O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)cc1 | nan | ||
| CHEMBL1532025 | 45920 | 10 | None | 13 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 470 | 7 | 2 | 7 | 3.7 | O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)cc1 | nan | ||
| 5733585 | 40970 | 10 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 486 | 9 | 2 | 7 | 4.0 | COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1OC | nan | ||
| CHEMBL1487024 | 40970 | 10 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 486 | 9 | 2 | 7 | 4.0 | COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1OC | nan | ||
| 4189659 | 28053 | 5 | None | 6 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 493 | 8 | 2 | 7 | 5.1 | CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C(=O)O)cc2)cc1 | nan | ||
| CHEMBL1372770 | 28053 | 5 | None | 6 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 493 | 8 | 2 | 7 | 5.1 | CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C(=O)O)cc2)cc1 | nan | ||
| 53258795 | 68071 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 416 | 11 | 1 | 3 | 7.5 | CCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| CHEMBL1914590 | 68071 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 416 | 11 | 1 | 3 | 7.5 | CCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| 660319 | 11003 | 96 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 184 | 1 | 1 | 3 | 2.7 | O=C(O)c1cc2sccc2s1 | 10.1021/jm200999f | ||
| CHEMBL1173787 | 11003 | 96 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 184 | 1 | 1 | 3 | 2.7 | O=C(O)c1cc2sccc2s1 | 10.1021/jm200999f | ||
| 5722655 | 20110 | 6 | None | 17 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 388 | 8 | 1 | 4 | 5.6 | CCCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1 | nan | ||
| CHEMBL1304179 | 20110 | 6 | None | 17 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 388 | 8 | 1 | 4 | 5.6 | CCCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1 | nan | ||
| 1024 | 16488 | 106 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 330 | 3 | 4 | 6 | 0.6 | O=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL1235421 | 16488 | 106 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 330 | 3 | 4 | 6 | 0.6 | O=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634318 | 185999 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 318 | 2 | 3 | 7 | 1.0 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(O)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4870255 | 185999 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 318 | 2 | 3 | 7 | 1.0 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(O)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 53258898 | 68073 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 472 | 15 | 1 | 3 | 9.1 | CCCCCCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| CHEMBL1914592 | 68073 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 472 | 15 | 1 | 3 | 9.1 | CCCCCCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/jm200999f | ||
| 154634334 | 185425 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1ccccc1F)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4861414 | 185425 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1ccccc1F)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634330 | 185952 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1cccc(F)c1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4869539 | 185952 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 396 | 3 | 2 | 6 | 3.1 | O=C(O)c1cc2c(oc1=O)c(-c1cccc(F)c1)cc1cc(C(=O)O)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 164610101 | 184875 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 342 | 4 | 2 | 6 | 2.5 | COc1cc(C(=O)O)nc2c(C)c3nc(C(=O)O)cc(OC)c3cc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4852667 | 184875 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 342 | 4 | 2 | 6 | 2.5 | COc1cc(C(=O)O)nc2c(C)c3nc(C(=O)O)cc(OC)c3cc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 12138435 | 68057 | 29 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 329 | 1 | 0 | 4 | 4.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 | 10.1021/jm200999f | ||
| CHEMBL1914576 | 68057 | 29 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 329 | 1 | 0 | 4 | 4.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 | 10.1021/jm200999f | ||
| 145951566 | 162765 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 3.2 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1F | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4171782 | 162765 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 3.2 | O=C(Nc1cc(Br)ccc1-c1nnn[nH]1)c1ccc(F)cc1F | 10.1021/acsmedchemlett.7b00510 | ||
| 16103465 | 68068 | 2 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 254 | 1 | 1 | 4 | 4.2 | Cc1csc2c1sc1cc(C(=O)O)sc12 | 10.1021/jm200999f | ||
| CHEMBL1914587 | 68068 | 2 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 254 | 1 | 1 | 4 | 4.2 | Cc1csc2c1sc1cc(C(=O)O)sc12 | 10.1021/jm200999f | ||
| 11957284 | 35936 | 5 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 441 | 3 | 2 | 8 | 5.0 | Cc1nnc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)s1 | nan | ||
| CHEMBL1442537 | 35936 | 5 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 441 | 3 | 2 | 8 | 5.0 | Cc1nnc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)s1 | nan | ||
| 1542103 | 22484 | 24 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 418 | 4 | 0 | 6 | 4.2 | Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1 | nan | ||
| CHEMBL1325250 | 22484 | 24 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 418 | 4 | 0 | 6 | 4.2 | Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1 | nan | ||
| 154634335 | 184483 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1cccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4847100 | 184483 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1cccc(-c2c3oc(=O)c(C(=O)O)cc3cc3cc(C(=O)O)c(=O)oc23)c1 | 10.1021/acs.jmedchem.0c01624 | ||
| 20992 | 197072 | 77 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 276 | 7 | 0 | 4 | 0.4 | O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O | nan | ||
| CHEMBL567422 | 197072 | 77 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 276 | 7 | 0 | 4 | 0.4 | O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O | nan | ||
| 24789826 | 55065 | 0 | None | 56 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 419 | 7 | 1 | 4 | 5.8 | CCN(CC)c1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL1307717 | 55065 | 0 | None | 56 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 419 | 7 | 1 | 4 | 5.8 | CCN(CC)c1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL1616626 | 55065 | 0 | None | 56 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 419 | 7 | 1 | 4 | 5.8 | CCN(CC)c1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1 | nan | ||
| 1985027 | 32717 | 10 | None | 27 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 454 | 8 | 2 | 5 | 4.6 | CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 | nan | ||
| CHEMBL1413629 | 32717 | 10 | None | 27 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 454 | 8 | 2 | 5 | 4.6 | CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 | nan | ||
| 12138434 | 68062 | 1 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 317 | 4 | 0 | 4 | 4.4 | CCCCc1ccc(C2(C)OC(=C(C#N)C#N)C(C#N)=C2C)cc1 | 10.1021/jm200999f | ||
| CHEMBL1914581 | 68062 | 1 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 317 | 4 | 0 | 4 | 4.4 | CCCCc1ccc(C2(C)OC(=C(C#N)C#N)C(C#N)=C2C)cc1 | 10.1021/jm200999f | ||
| 164610101 | 184875 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 342 | 4 | 2 | 6 | 2.5 | COc1cc(C(=O)O)nc2c(C)c3nc(C(=O)O)cc(OC)c3cc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4852667 | 184875 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 342 | 4 | 2 | 6 | 2.5 | COc1cc(C(=O)O)nc2c(C)c3nc(C(=O)O)cc(OC)c3cc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 1803281 | 20065 | 8 | None | 15 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 3.0 | CN(C)c1ccc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1 | nan | ||
| CHEMBL1303807 | 20065 | 8 | None | 15 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 3.0 | CN(C)c1ccc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1 | nan | ||
| 798024 | 35424 | 5 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 245 | 3 | 1 | 4 | 1.7 | N#C/C(=C\c1ccc(N2CCCCC2)o1)C(N)=O | nan | ||
| CHEMBL1437947 | 35424 | 5 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 245 | 3 | 1 | 4 | 1.7 | N#C/C(=C\c1ccc(N2CCCCC2)o1)C(N)=O | nan | ||
| 6201879 | 27388 | 16 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 4.0 | COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)c1 | nan | ||
| CHEMBL1367928 | 27388 | 16 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 4.0 | COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)c1 | nan | ||
| 154634332 | 185127 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856506 | 185127 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 145954727 | 162421 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 295 | 3 | 2 | 4 | 2.0 | CCC(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4166100 | 162421 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 295 | 3 | 2 | 4 | 2.0 | CCC(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 5767616 | 19599 | 5 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 370 | 5 | 1 | 5 | 4.3 | CCOc1ccc(N(C)c2ccc(/C=C3/SC(=S)NC3=O)cc2)cc1 | nan | ||
| CHEMBL1300169 | 19599 | 5 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 370 | 5 | 1 | 5 | 4.3 | CCOc1ccc(N(C)c2ccc(/C=C3/SC(=S)NC3=O)cc2)cc1 | nan | ||
| 152550147 | 185328 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3cccc(F)c3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4859675 | 185328 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3cccc(F)c3)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 154634322 | 185380 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 307 | 1 | 1 | 8 | 1.0 | N#Cc1cc2c(ccc3cc(-c4nnn[nH]4)c(=O)oc32)oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4860550 | 185380 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 307 | 1 | 1 | 8 | 1.0 | N#Cc1cc2c(ccc3cc(-c4nnn[nH]4)c(=O)oc32)oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 1346847 | 21201 | 8 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 412 | 6 | 2 | 5 | 4.3 | Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 | nan | ||
| CHEMBL1312928 | 21201 | 8 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 412 | 6 | 2 | 5 | 4.3 | Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 | nan | ||
| 10868388 | 162133 | 47 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 239 | 1 | 2 | 4 | 1.2 | Nc1ccc(Br)cc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4161599 | 162133 | 47 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 239 | 1 | 2 | 4 | 1.2 | Nc1ccc(Br)cc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 1502520 | 34501 | 21 | None | -9 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 398 | 4 | 0 | 6 | 3.8 | Cc1ccc(Cn2ncc3c(N4CCN(c5ccccc5C)CC4)ncnc32)cc1 | nan | ||
| CHEMBL1428840 | 34501 | 21 | None | -9 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 398 | 4 | 0 | 6 | 3.8 | Cc1ccc(Cn2ncc3c(N4CCN(c5ccccc5C)CC4)ncnc32)cc1 | nan | ||
| 3860640 | 149831 | 47 | None | -13 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 331 | 2 | 3 | 3 | 3.7 | Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL394883 | 149831 | 47 | None | -13 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 331 | 2 | 3 | 3 | 3.7 | Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| 1231538 | 27518 | 29 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 523 | 6 | 1 | 6 | 6.0 | O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | nan | ||
| CHEMBL1368962 | 27518 | 29 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 523 | 6 | 1 | 6 | 6.0 | O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | nan | ||
| 4559736 | 34673 | 3 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 254 | 2 | 2 | 4 | 2.7 | Nc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccn1 | nan | ||
| CHEMBL1430125 | 34673 | 3 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 254 | 2 | 2 | 4 | 2.7 | Nc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccn1 | nan | ||
| 326869 | 112811 | 5 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 314 | 2 | 4 | 4 | 1.1 | Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL3306990 | 112811 | 5 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 314 | 2 | 4 | 4 | 1.1 | Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acs.jmedchem.0c01624 | ||
| 154634331 | 184548 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 420 | 4 | 2 | 6 | 4.1 | CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4848109 | 184548 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 420 | 4 | 2 | 6 | 4.1 | CC(C)c1ccc(-c2cc3cc(C(=O)O)c(=O)oc3c3cc(C(=O)O)c(=O)oc23)cc1 | 10.1021/acs.jmedchem.0c01624 | ||
| 149708825 | 186391 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3ccccc3F)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4875771 | 186391 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 300 | 2 | 2 | 4 | 3.0 | O=C(O)c1cc2cc(-c3ccccc3F)c(O)cc2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 2277094 | 49016 | 10 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 470 | 7 | 2 | 7 | 3.7 | O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(=O)O)c1 | nan | ||
| CHEMBL1560901 | 49016 | 10 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 470 | 7 | 2 | 7 | 3.7 | O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(=O)O)c1 | nan | ||
| 1205881 | 36165 | 5 | None | 23 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.0 | O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 | nan | ||
| CHEMBL1444708 | 36165 | 5 | None | 23 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.0 | O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 | nan | ||
| 145958445 | 162131 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4161574 | 162131 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.2 | Cc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145959306 | 162315 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1cccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4164556 | 162315 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1cccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c1 | 10.1021/acsmedchemlett.7b00510 | ||
| 145949189 | 162737 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 313 | 4 | 2 | 5 | 2.3 | COc1ccc(C(=O)Nc2cc(F)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4171326 | 162737 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 313 | 4 | 2 | 5 | 2.3 | COc1ccc(C(=O)Nc2cc(F)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 154634326 | 185092 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 404 | 2 | 2 | 8 | 1.5 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(-c3nnn[nH]3)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4856029 | 185092 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 404 | 2 | 2 | 8 | 1.5 | O=C(O)c1cc2c(oc1=O)c(Br)cc1cc(-c3nnn[nH]3)c(=O)oc12 | 10.1021/acs.jmedchem.0c01624 | ||
| 2732121 | 38528 | 5 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 306 | 3 | 0 | 4 | 3.6 | CC(C)c1ccc(N2C(=O)/C(=C/N(C)C)SC2=S)cc1 | nan | ||
| CHEMBL1464544 | 38528 | 5 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 306 | 3 | 0 | 4 | 3.6 | CC(C)c1ccc(N2C(=O)/C(=C/N(C)C)SC2=S)cc1 | nan | ||
| 110720191 | 162457 | 2 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 295 | 4 | 2 | 5 | 2.1 | COc1ccc(C(=O)Nc2ccc(-c3nnn[nH]3)cc2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| CHEMBL4166802 | 162457 | 2 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 295 | 4 | 2 | 5 | 2.1 | COc1ccc(C(=O)Nc2ccc(-c3nnn[nH]3)cc2)cc1 | 10.1021/acsmedchemlett.7b00510 | ||
| 3276705 | 46393 | 9 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 8 | 2 | 6 | 4.3 | CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)c(NC(=O)c2cccnc2Cl)c1 | nan | ||
| CHEMBL1536628 | 46393 | 9 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 8 | 2 | 6 | 4.3 | CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)c(NC(=O)c2cccnc2Cl)c1 | nan | ||
| 6974996 | 72019 | 8 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 389 | 6 | 0 | 6 | 3.6 | CC/N=C1\S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C(=O)N1CC | nan | ||
| CHEMBL1975147 | 72019 | 8 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 389 | 6 | 0 | 6 | 3.6 | CC/N=C1\S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C(=O)N1CC | nan | ||
| 154634327 | 184739 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(Br)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| CHEMBL4850743 | 184739 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 380 | 2 | 2 | 6 | 2.1 | O=C(O)c1cc2cc3cc(C(=O)O)c(=O)oc3c(Br)c2oc1=O | 10.1021/acs.jmedchem.0c01624 | ||
| 18158890 | 23518 | 3 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 404 | 8 | 2 | 4 | 2.8 | CC(C)(C)c1ccc(OCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 | nan | ||
| CHEMBL1333832 | 23518 | 3 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 404 | 8 | 2 | 4 | 2.8 | CC(C)(C)c1ccc(OCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 | nan | ||
| 1348329 | 26248 | 12 | None | 3 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 436 | 8 | 2 | 5 | 4.4 | O=C(CCCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(C(=O)O)cc1 | nan | ||
| CHEMBL1357976 | 26248 | 12 | None | 3 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 436 | 8 | 2 | 5 | 4.4 | O=C(CCCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(C(=O)O)cc1 | nan | ||
| 3804843 | 42246 | 7 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 321 | 1 | 1 | 6 | 2.1 | CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccsc3)C2C1 | nan | ||
| CHEMBL1497386 | 42246 | 7 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 321 | 1 | 1 | 6 | 2.1 | CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccsc3)C2C1 | nan | ||
| 18158890 | 23518 | 3 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 404 | 8 | 2 | 4 | 2.8 | CC(C)(C)c1ccc(OCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 | nan | ||
| CHEMBL1333832 | 23518 | 3 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 404 | 8 | 2 | 4 | 2.8 | CC(C)(C)c1ccc(OCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 | nan | ||
| 4659569 | 22331 | 101 | None | 4 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 273 | 3 | 2 | 5 | 2.5 | Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 | None | ||
| CHEMBL1324 | 22331 | 101 | None | 4 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 273 | 3 | 2 | 5 | 2.5 | Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 | None | ||
| 5281081 | 207656 | 87 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 305 | 5 | 2 | 6 | 1.8 | CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1 | None | ||
| CHEMBL953 | 207656 | 87 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 305 | 5 | 2 | 6 | 1.8 | CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1 | None | ||
| 2882 | 1208 | 62 | None | -2 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | ||
| 741 | 1208 | 62 | None | -2 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | ||
| 7608 | 1208 | 62 | None | -2 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | ||
| CHEMBL428880 | 1208 | 62 | None | -2 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | ||
| DB01003 | 1208 | 62 | None | -2 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | ||
| 2161 | 8733 | 121 | None | 154 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 298 | 2 | 2 | 5 | 2.7 | CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1 | None | ||
| CHEMBL1096 | 8733 | 121 | None | 154 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 298 | 2 | 2 | 5 | 2.7 | CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1 | None | ||
| 2471 | 739 | 109 | None | 18 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 364 | 8 | 3 | 5 | 3.0 | CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O | None | ||
| 427 | 739 | 109 | None | 18 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 364 | 8 | 3 | 5 | 3.0 | CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O | None | ||
| 4837 | 739 | 109 | None | 18 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 364 | 8 | 3 | 5 | 3.0 | CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O | None | ||
| CHEMBL1072 | 739 | 109 | None | 18 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 364 | 8 | 3 | 5 | 3.0 | CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O | None | ||
| DB00887 | 739 | 109 | None | 18 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 364 | 8 | 3 | 5 | 3.0 | CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O | None | ||
| 2882 | 1208 | 62 | None | 2 | 5 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | ||
| 741 | 1208 | 62 | None | 2 | 5 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | ||
| 7608 | 1208 | 62 | None | 2 | 5 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | ||
| CHEMBL428880 | 1208 | 62 | None | 2 | 5 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | ||
| DB01003 | 1208 | 62 | None | 2 | 5 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | ||
| 50294 | 217718 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 371 | 5 | 2 | 6 | 2.5 | CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C(O)=O)C(O)=O | None | ||
| 3325 | 2338 | 56 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | None | ||
| 44564 | 2338 | 56 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | None | ||
| 9743 | 2338 | 56 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | None | ||
| CHEMBL1201266 | 2338 | 56 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | None | ||
| DB06794 | 2338 | 56 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | None | ||
| 3325 | 2338 | 56 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | 29068046 | ||
| 44564 | 2338 | 56 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | 29068046 | ||
| 9743 | 2338 | 56 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | 29068046 | ||
| CHEMBL1201266 | 2338 | 56 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | 29068046 | ||
| DB06794 | 2338 | 56 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | 29068046 | ||
| 2918 | 2204 | 126 | None | -2630 | 4 | Human | 4.2 | pEC50 | = | 4.2 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 16754668 | ||
| 2918 | 2204 | 126 | None | -2630 | 4 | Human | 4.2 | pEC50 | = | 4.2 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 23396314 | ||
| 3845 | 2204 | 126 | None | -2630 | 4 | Human | 4.2 | pEC50 | = | 4.2 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 16754668 | ||
| 3845 | 2204 | 126 | None | -2630 | 4 | Human | 4.2 | pEC50 | = | 4.2 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 23396314 | ||
| CHEMBL299155 | 2204 | 126 | None | -2630 | 4 | Human | 4.2 | pEC50 | = | 4.2 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 16754668 | ||
| CHEMBL299155 | 2204 | 126 | None | -2630 | 4 | Human | 4.2 | pEC50 | = | 4.2 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 23396314 | ||
| DB11937 | 2204 | 126 | None | -2630 | 4 | Human | 4.2 | pEC50 | = | 4.2 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 16754668 | ||
| DB11937 | 2204 | 126 | None | -2630 | 4 | Human | 4.2 | pEC50 | = | 4.2 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 23396314 | ||
| 2471 | 739 | 109 | None | 18 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 364 | 8 | 3 | 5 | 3.0 | CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O | 22236570 | ||
| 427 | 739 | 109 | None | 18 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 364 | 8 | 3 | 5 | 3.0 | CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O | 22236570 | ||
| 4837 | 739 | 109 | None | 18 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 364 | 8 | 3 | 5 | 3.0 | CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O | 22236570 | ||
| CHEMBL1072 | 739 | 109 | None | 18 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 364 | 8 | 3 | 5 | 3.0 | CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O | 22236570 | ||
| DB00887 | 739 | 109 | None | 18 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 364 | 8 | 3 | 5 | 3.0 | CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O | 22236570 | ||
| 118985385 | 1701 | 111 | None | 7 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 22236570 | ||
| 1258 | 1701 | 111 | None | 7 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 22236570 | ||
| 3440 | 1701 | 111 | None | 7 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 22236570 | ||
| 4839 | 1701 | 111 | None | 7 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 22236570 | ||
| CHEMBL35 | 1701 | 111 | None | 7 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 22236570 | ||
| DB00695 | 1701 | 111 | None | 7 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 22236570 | ||
| 2936 | 85 | 0 | None | -3 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC(COP(=O)(O)O)CO | 20361937 | ||
| 56947016 | 85 | 0 | None | -3 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC(COP(=O)(O)O)CO | 20361937 | ||
| 2920 | 2997 | 103 | None | -3388 | 2 | Rat | 4.0 | pEC50 | None | 4 | Functional | Guide to Pharmacology | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 20919992 | ||
| 54742459 | 2997 | 103 | None | -3388 | 2 | Rat | 4.0 | pEC50 | None | 4 | Functional | Guide to Pharmacology | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 20919992 | ||
| 8546 | 2997 | 103 | None | -3388 | 2 | Rat | 4.0 | pEC50 | None | 4 | Functional | Guide to Pharmacology | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 20919992 | ||
| CHEMBL177880 | 2997 | 103 | None | -3388 | 2 | Rat | 4.0 | pEC50 | None | 4 | Functional | Guide to Pharmacology | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 20919992 | ||
| 2918 | 2204 | 126 | None | -616 | 4 | Mouse | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 16754668 | ||
| 3845 | 2204 | 126 | None | -616 | 4 | Mouse | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 16754668 | ||
| CHEMBL299155 | 2204 | 126 | None | -616 | 4 | Mouse | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 16754668 | ||
| DB11937 | 2204 | 126 | None | -616 | 4 | Mouse | 5.0 | pEC50 | None | 5.0 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 16754668 | ||
| 2918 | 2204 | 126 | None | -1202 | 4 | Rat | 5.2 | pEC50 | None | 5.2 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 16754668 | ||
| 3845 | 2204 | 126 | None | -1202 | 4 | Rat | 5.2 | pEC50 | None | 5.2 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 16754668 | ||
| CHEMBL299155 | 2204 | 126 | None | -1202 | 4 | Rat | 5.2 | pEC50 | None | 5.2 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 16754668 | ||
| DB11937 | 2204 | 126 | None | -1202 | 4 | Rat | 5.2 | pEC50 | None | 5.2 | Functional | Guide to Pharmacology | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 16754668 | ||
| 135399235 | 4134 | 60 | None | -18 | 3 | Human | 6.1 | pEC50 | None | 6.1 | Functional | Guide to Pharmacology | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 16934253 | ||
| 2919 | 4134 | 60 | None | -18 | 3 | Human | 6.1 | pEC50 | None | 6.1 | Functional | Guide to Pharmacology | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 16934253 | ||
| 5722 | 4134 | 60 | None | -18 | 3 | Human | 6.1 | pEC50 | None | 6.1 | Functional | Guide to Pharmacology | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 16934253 | ||
| CHEMBL28079 | 4134 | 60 | None | -18 | 3 | Human | 6.1 | pEC50 | None | 6.1 | Functional | Guide to Pharmacology | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 16934253 | ||
| 2920 | 2997 | 103 | None | 3388 | 2 | Human | 7.3 | pEC50 | None | 7.3 | Functional | Guide to Pharmacology | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 20919992 | ||
| 54742459 | 2997 | 103 | None | 3388 | 2 | Human | 7.3 | pEC50 | None | 7.3 | Functional | Guide to Pharmacology | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 20919992 | ||
| 8546 | 2997 | 103 | None | 3388 | 2 | Human | 7.3 | pEC50 | None | 7.3 | Functional | Guide to Pharmacology | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 20919992 | ||
| CHEMBL177880 | 2997 | 103 | None | 3388 | 2 | Human | 7.3 | pEC50 | None | 7.3 | Functional | Guide to Pharmacology | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 20919992 | ||
| 135399235 | 4134 | 60 | None | 18 | 3 | Rat | 7.8 | pEC50 | None | 7.8 | Functional | Guide to Pharmacology | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 16934253 | ||
| 2919 | 4134 | 60 | None | 18 | 3 | Rat | 7.8 | pEC50 | None | 7.8 | Functional | Guide to Pharmacology | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 16934253 | ||
| 5722 | 4134 | 60 | None | 18 | 3 | Rat | 7.8 | pEC50 | None | 7.8 | Functional | Guide to Pharmacology | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 16934253 | ||
| CHEMBL28079 | 4134 | 60 | None | 18 | 3 | Rat | 7.8 | pEC50 | None | 7.8 | Functional | Guide to Pharmacology | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 16934253 | ||
| 5280343 | 188275 | 124 | None | -8 | 12 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL1520590 | 188275 | 124 | None | -8 | 12 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL50 | 188275 | 124 | None | -8 | 12 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| 2745687 | 933 | 31 | None | 10 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 23888932 | ||
| 9741 | 933 | 31 | None | 10 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 23888932 | ||
| CHEMBL1708510 | 933 | 31 | None | 10 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 23888932 | ||
| 2745687 | 933 | 31 | None | 10 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | Guide to Pharmacology | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 23888932 | ||
| 9741 | 933 | 31 | None | 10 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | Guide to Pharmacology | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 23888932 | ||
| CHEMBL1708510 | 933 | 31 | None | 10 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | Guide to Pharmacology | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 23888932 | ||
| 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 |
| 135399235 | 4134 | 60 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acsmedchemlett.2c00461 | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acsmedchemlett.2c00461 | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acsmedchemlett.2c00461 | |||
| 12138435 | 68057 | 29 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 329 | 1 | 0 | 4 | 4.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1914576 | 68057 | 29 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 329 | 1 | 0 | 4 | 4.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.6b01431 | |||
| 71733650 | 90843 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| CHEMBL2392161 | 90843 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| 694463 | 87480 | 90 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 268 | 1 | 1 | 3 | 2.3 | O=C(O)c1cc2cc(Br)ccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL2333943 | 87480 | 90 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 268 | 1 | 1 | 3 | 2.3 | O=C(O)c1cc2cc(Br)ccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 71733848 | 90861 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 451 | 4 | 2 | 5 | 4.2 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 | 10.1021/jm4009373 | |||
| CHEMBL2392179 | 90861 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 451 | 4 | 2 | 5 | 4.2 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 | 10.1021/jm4009373 | |||
| 71733848 | 90861 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 451 | 4 | 2 | 5 | 4.2 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 | 10.1021/jm400587g | |||
| CHEMBL2392179 | 90861 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 451 | 4 | 2 | 5 | 4.2 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 | 10.1021/jm400587g | |||
| 71733848 | 90861 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 451 | 4 | 2 | 5 | 4.2 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 | 10.1021/jm400587g | |||
| CHEMBL2392179 | 90861 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 451 | 4 | 2 | 5 | 4.2 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 | 10.1021/jm400587g | |||
| 135399235 | 4134 | 60 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1039/C2MD20210G | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1039/C2MD20210G | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1039/C2MD20210G | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1039/C2MD20210G | |||
| 71733845 | 90858 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccccc1C(=O)Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| CHEMBL2392176 | 90858 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccccc1C(=O)Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| 4488 | 203021 | 110 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/jm4009373 | |||
| CHEMBL63323 | 203021 | 110 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/jm4009373 | |||
| 71733651 | 90844 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 357 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392162 | 90844 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 357 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71733651 | 90844 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 357 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392162 | 90844 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 357 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 71734940 | 90845 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 385 | 5 | 1 | 6 | 3.4 | CCOC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(OC)cc3)c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392163 | 90845 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 385 | 5 | 1 | 6 | 3.4 | CCOC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(OC)cc3)c2o1 | 10.1021/jm400587g | |||
| 118985385 | 1701 | 111 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| 1258 | 1701 | 111 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| 3440 | 1701 | 111 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| 4839 | 1701 | 111 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| CHEMBL35 | 1701 | 111 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| DB00695 | 1701 | 111 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| 71733650 | 90843 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| CHEMBL2392161 | 90843 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| 71733843 | 90856 | 6 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392174 | 90856 | 6 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2425818 | 90856 | 6 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 71733843 | 90856 | 6 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392174 | 90856 | 6 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2425818 | 90856 | 6 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 71733843 | 90856 | 6 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL2392174 | 90856 | 6 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL2425818 | 90856 | 6 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/acs.jmedchem.6b01431 | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm4009373 | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm4009373 | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm4009373 | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm4009373 | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 71734944 | 90830 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 315 | 3 | 2 | 4 | 3.0 | O=C(O)c1cc(=O)c2cccc(NC(=O)C3CCCCC3)c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392148 | 90830 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 315 | 3 | 2 | 4 | 3.0 | O=C(O)c1cc(=O)c2cccc(NC(=O)C3CCCCC3)c2o1 | 10.1021/jm400587g | |||
| 71733653 | 90847 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 357 | 3 | 2 | 4 | 3.7 | Cc1cccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| CHEMBL2392165 | 90847 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 357 | 3 | 2 | 4 | 3.7 | Cc1cccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| 2882 | 1208 | 62 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| 741 | 1208 | 62 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| 7608 | 1208 | 62 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| CHEMBL428880 | 1208 | 62 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| DB01003 | 1208 | 62 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| 71734939 | 90826 | 1 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 283 | 1 | 2 | 4 | 1.8 | Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| CHEMBL2392144 | 90826 | 1 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 283 | 1 | 2 | 4 | 1.8 | Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| 71733847 | 90860 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 431 | 3 | 2 | 6 | 3.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc2c(c1)OCO2 | 10.1021/jm400587g | |||
| CHEMBL2392178 | 90860 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 431 | 3 | 2 | 6 | 3.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc2c(c1)OCO2 | 10.1021/jm400587g | |||
| 92934 | 169657 | 95 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 280 | 2 | 2 | 6 | 1.9 | O=C(O)[C@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | 10.1021/jm4009373 | |||
| CHEMBL443738 | 169657 | 95 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 280 | 2 | 2 | 6 | 1.9 | O=C(O)[C@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | 10.1021/jm4009373 | |||
| 12403015 | 111496 | 1 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 300 | 2 | 4 | 4 | 0.8 | O=C(O)c1cc(=O)c2c(ccc3c(=O)cc(C(=O)O)[nH]c32)[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL3277775 | 111496 | 1 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 300 | 2 | 4 | 4 | 0.8 | O=C(O)c1cc(=O)c2c(ccc3c(=O)cc(C(=O)O)[nH]c32)[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 135399235 | 4134 | 60 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm4009373 | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm4009373 | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm4009373 | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm4009373 | |||
| 54676038 | 38723 | 77 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 336 | 2 | 2 | 6 | 2.9 | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1466 | 38723 | 77 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 336 | 2 | 2 | 6 | 2.9 | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 54676038 | 38723 | 77 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 336 | 2 | 2 | 6 | 2.9 | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O | 10.1021/jm4009373 | |||
| CHEMBL1466 | 38723 | 77 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 336 | 2 | 2 | 6 | 2.9 | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O | 10.1021/jm4009373 | |||
| 71733846 | 90859 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 447 | 5 | 2 | 6 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC | 10.1021/jm400587g | |||
| CHEMBL2392177 | 90859 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 447 | 5 | 2 | 6 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC | 10.1021/jm400587g | |||
| 71735030 | 90834 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 360 | 3 | 2 | 5 | 3.3 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2n1 | 10.1021/jm4009373 | |||
| CHEMBL2392152 | 90834 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 360 | 3 | 2 | 5 | 3.3 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2n1 | 10.1021/jm4009373 | |||
| 71735030 | 90834 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 360 | 3 | 2 | 5 | 3.3 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2n1 | 10.1021/jm400587g | |||
| CHEMBL2392152 | 90834 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 360 | 3 | 2 | 5 | 3.3 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2n1 | 10.1021/jm400587g | |||
| 71734942 | 90828 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 261 | 3 | 2 | 4 | 1.8 | CCC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| CHEMBL2392146 | 90828 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 261 | 3 | 2 | 4 | 1.8 | CCC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| 271643 | 32780 | 70 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 224 | 1 | 1 | 3 | 2.1 | O=C(O)c1cc2cc(Cl)ccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1414071 | 32780 | 70 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 224 | 1 | 1 | 3 | 2.1 | O=C(O)c1cc2cc(Cl)ccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 71733844 | 90857 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.9 | CCOc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392175 | 90857 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.9 | CCOc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 71735034 | 90837 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 323 | 3 | 2 | 4 | 3.1 | Cc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392155 | 90837 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 323 | 3 | 2 | 4 | 3.1 | Cc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 10857978 | 115245 | 6 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 252 | 2 | 1 | 5 | 2.5 | O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1O | 10.1039/C2MD20210G | |||
| CHEMBL3347429 | 115245 | 6 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 252 | 2 | 1 | 5 | 2.5 | O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1O | 10.1039/C2MD20210G | |||
| 137652009 | 157514 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 320 | 3 | 2 | 10 | 0.5 | O=c1oc2c([N+](=O)[O-])c(O)c([N+](=O)[O-])cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4079816 | 157514 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 320 | 3 | 2 | 10 | 0.5 | O=c1oc2c([N+](=O)[O-])c(O)c([N+](=O)[O-])cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 137652009 | 157514 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 320 | 3 | 2 | 10 | 0.5 | O=c1oc2c([N+](=O)[O-])c(O)c([N+](=O)[O-])cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4079816 | 157514 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 320 | 3 | 2 | 10 | 0.5 | O=c1oc2c([N+](=O)[O-])c(O)c([N+](=O)[O-])cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 71733848 | 90861 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 451 | 4 | 2 | 5 | 4.2 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 | 10.1021/jm400587g | |||
| CHEMBL2392179 | 90861 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 451 | 4 | 2 | 5 | 4.2 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 | 10.1021/jm400587g | |||
| 2295463 | 92221 | 34 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 279 | 4 | 2 | 5 | 1.5 | O=C(O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2425825 | 92221 | 34 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 279 | 4 | 2 | 5 | 1.5 | O=C(O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 | 10.1021/jm4009373 | |||
| 71733843 | 90856 | 6 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392174 | 90856 | 6 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2425818 | 90856 | 6 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 137657450 | 159595 | 3 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 2.5 | COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4103143 | 159595 | 3 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 2.5 | COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| 137657450 | 159595 | 3 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 2.5 | COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4103143 | 159595 | 3 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 2.5 | COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| 137657450 | 159595 | 3 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 2.5 | COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4103143 | 159595 | 3 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 2.5 | COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| 71733651 | 90844 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 357 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392162 | 90844 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 357 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 71733939 | 90864 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)nc1 | 10.1021/jm400587g | |||
| CHEMBL2392182 | 90864 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)nc1 | 10.1021/jm400587g | |||
| 137636652 | 156049 | 3 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 322 | 2 | 1 | 6 | 1.7 | COc1cc2oc(=O)c(-c3nnn[nH]3)cc2cc1Br | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4062531 | 156049 | 3 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 322 | 2 | 1 | 6 | 1.7 | COc1cc2oc(=O)c(-c3nnn[nH]3)cc2cc1Br | 10.1021/acs.jmedchem.6b01431 | |||
| 13950958 | 157628 | 4 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 362 | 1 | 2 | 4 | 2.7 | O=C(O)c1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4081238 | 157628 | 4 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 362 | 1 | 2 | 4 | 2.7 | O=C(O)c1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 71733749 | 90854 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| CHEMBL2392172 | 90854 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| 71733749 | 90854 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| CHEMBL2392172 | 90854 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| 13950958 | 157628 | 4 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 362 | 1 | 2 | 4 | 2.7 | O=C(O)c1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4081238 | 157628 | 4 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 362 | 1 | 2 | 4 | 2.7 | O=C(O)c1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 4488 | 203021 | 110 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/jm4009373 | |||
| CHEMBL63323 | 203021 | 110 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/jm4009373 | |||
| 137653726 | 158676 | 3 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 386 | 1 | 2 | 6 | 2.2 | O=c1oc2c(Br)c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4092954 | 158676 | 3 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 386 | 1 | 2 | 6 | 2.2 | O=c1oc2c(Br)c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 71733939 | 90864 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)nc1 | 10.1021/jm400587g | |||
| CHEMBL2392182 | 90864 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)nc1 | 10.1021/jm400587g | |||
| 71735035 | 90838 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 377 | 3 | 2 | 4 | 3.8 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(C(F)(F)F)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392156 | 90838 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 377 | 3 | 2 | 4 | 3.8 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(C(F)(F)F)cc1 | 10.1021/jm400587g | |||
| 71733748 | 90853 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392171 | 90853 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm400587g | |||
| 71733748 | 90853 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm4009373 | |||
| CHEMBL2392171 | 90853 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm4009373 | |||
| 71733748 | 90853 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392171 | 90853 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm400587g | |||
| 71733744 | 90849 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 3.4 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392167 | 90849 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 3.4 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71733744 | 90849 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 3.4 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392167 | 90849 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 3.4 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 71733649 | 90842 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392160 | 90842 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm400587g | |||
| 71733744 | 90849 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 3.4 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392167 | 90849 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 3.4 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 135399235 | 4134 | 60 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| 71733845 | 90858 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccccc1C(=O)Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| CHEMBL2392176 | 90858 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccccc1C(=O)Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| 71733845 | 90858 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccccc1C(=O)Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| CHEMBL2392176 | 90858 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccccc1C(=O)Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| 71733649 | 90842 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392160 | 90842 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm400587g | |||
| 135468531 | 90824 | 25 | None | - | 0 | Mouse | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 342 | 3 | 2 | 4 | 3.4 | O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392141 | 90824 | 25 | None | - | 0 | Mouse | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 342 | 3 | 2 | 4 | 3.4 | O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 | 10.1021/jm400587g | |||
| 71733743 | 90848 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 388 | 4 | 2 | 6 | 3.3 | O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm400587g | |||
| CHEMBL2392166 | 90848 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 388 | 4 | 2 | 6 | 3.3 | O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm400587g | |||
| 5464105 | 57832 | 67 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 265 | 4 | 2 | 6 | 1.6 | CC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O | 10.1039/C2MD20210G | |||
| CHEMBL167055 | 57832 | 67 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 265 | 4 | 2 | 6 | 1.6 | CC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O | 10.1039/C2MD20210G | |||
| 725495 | 65536 | 66 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 346 | 1 | 1 | 3 | 3.0 | O=C(O)c1cc2cc(Br)cc(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1830823 | 65536 | 66 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 346 | 1 | 1 | 3 | 3.0 | O=C(O)c1cc2cc(Br)cc(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 725495 | 65536 | 66 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 346 | 1 | 1 | 3 | 3.0 | O=C(O)c1cc2cc(Br)cc(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1830823 | 65536 | 66 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 346 | 1 | 1 | 3 | 3.0 | O=C(O)c1cc2cc(Br)cc(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 71733651 | 90844 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 357 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392162 | 90844 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 357 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 137655259 | 158968 | 3 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 327 | 0 | 0 | 3 | 3.2 | N#Cc1cc2cc(Br)cc(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4096105 | 158968 | 3 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 327 | 0 | 0 | 3 | 3.2 | N#Cc1cc2cc(Br)cc(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 11312 | 111518 | 63 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 184 | 2 | 1 | 5 | 1.2 | O=[N+]([O-])c1cccc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| CHEMBL3278560 | 111518 | 63 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 184 | 2 | 1 | 5 | 1.2 | O=[N+]([O-])c1cccc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| 71733744 | 90849 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 3.4 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392167 | 90849 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 3.4 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 4921319 | 107461 | 58 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 199 | 2 | 2 | 6 | 0.8 | Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| CHEMBL3183248 | 107461 | 58 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 199 | 2 | 2 | 6 | 0.8 | Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| 135399235 | 4134 | 60 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| 137662152 | 159391 | 9 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 353 | 2 | 2 | 8 | 1.3 | O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4100677 | 159391 | 9 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 353 | 2 | 2 | 8 | 1.3 | O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm4009373 | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm4009373 | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm4009373 | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm4009373 | |||
| 71733649 | 90842 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392160 | 90842 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm400587g | |||
| 657910 | 53452 | 53 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 2.8 | O=C(O)c1cc2cc(Cl)cc(Cl)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1600989 | 53452 | 53 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 2.8 | O=C(O)c1cc2cc(Cl)cc(Cl)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 71734943 | 90829 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 305 | 4 | 2 | 6 | 1.0 | COC(=O)CC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| CHEMBL2392147 | 90829 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 305 | 4 | 2 | 6 | 1.0 | COC(=O)CC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| 71733847 | 90860 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 431 | 3 | 2 | 6 | 3.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc2c(c1)OCO2 | 10.1021/jm400587g | |||
| CHEMBL2392178 | 90860 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 431 | 3 | 2 | 6 | 3.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc2c(c1)OCO2 | 10.1021/jm400587g | |||
| 71733746 | 90851 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 401 | 3 | 2 | 4 | 3.8 | Cc1cccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| CHEMBL2392169 | 90851 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 401 | 3 | 2 | 4 | 3.8 | Cc1cccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| 2882 | 1208 | 62 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| 741 | 1208 | 62 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| 7608 | 1208 | 62 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| CHEMBL428880 | 1208 | 62 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| DB01003 | 1208 | 62 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| 71733653 | 90847 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 357 | 3 | 2 | 4 | 3.7 | Cc1cccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| CHEMBL2392165 | 90847 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 357 | 3 | 2 | 4 | 3.7 | Cc1cccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| 3254949 | 115246 | 6 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 460 | 6 | 2 | 10 | 3.9 | O=[N+]([O-])c1cc(C(=C(Cl)Cl)c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| CHEMBL3347474 | 115246 | 6 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 460 | 6 | 2 | 10 | 3.9 | O=[N+]([O-])c1cc(C(=C(Cl)Cl)c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| 782693 | 158241 | 32 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 205 | 0 | 0 | 3 | 2.3 | N#Cc1cc2cc(Cl)ccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4088382 | 158241 | 32 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 205 | 0 | 0 | 3 | 2.3 | N#Cc1cc2cc(Cl)ccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 71735036 | 90839 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392157 | 90839 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 71733843 | 90856 | 6 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392174 | 90856 | 6 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2425818 | 90856 | 6 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 3870203 | 58330 | 55 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 200 | 2 | 2 | 6 | 0.9 | O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| CHEMBL168276 | 58330 | 55 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 200 | 2 | 2 | 6 | 0.9 | O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| 135399235 | 4134 | 60 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| 71733842 | 90855 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 412 | 3 | 2 | 5 | 3.4 | N#Cc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392173 | 90855 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 412 | 3 | 2 | 5 | 3.4 | N#Cc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 137658268 | 159662 | 3 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 343 | 0 | 1 | 4 | 2.9 | N#Cc1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4103860 | 159662 | 3 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 343 | 0 | 1 | 4 | 2.9 | N#Cc1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 137658268 | 159662 | 3 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 343 | 0 | 1 | 4 | 2.9 | N#Cc1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4103860 | 159662 | 3 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 343 | 0 | 1 | 4 | 2.9 | N#Cc1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 633803 | 115247 | 11 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 408 | 6 | 2 | 10 | 3.1 | CC(C)(c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| CHEMBL3347475 | 115247 | 11 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 408 | 6 | 2 | 10 | 3.1 | CC(C)(c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| 71734941 | 90827 | 2 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 247 | 2 | 2 | 4 | 1.5 | CC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| CHEMBL2392145 | 90827 | 2 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 247 | 2 | 2 | 4 | 1.5 | CC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| 10857978 | 115245 | 6 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 252 | 2 | 1 | 5 | 2.5 | O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1O | 10.1039/C2MD20210G | |||
| CHEMBL3347429 | 115245 | 6 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 252 | 2 | 1 | 5 | 2.5 | O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1O | 10.1039/C2MD20210G | |||
| 71733747 | 90852 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 421 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392170 | 90852 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 421 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1 | 10.1021/jm4009373 | |||
| 71733749 | 90854 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm4009373 | |||
| CHEMBL2392172 | 90854 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm4009373 | |||
| 71733747 | 90852 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 421 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392170 | 90852 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 421 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1 | 10.1021/jm400587g | |||
| 73294510 | 92219 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 369 | 5 | 2 | 6 | 2.8 | COc1ccc(C(=O)Nc2cc(OC)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2425823 | 92219 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 369 | 5 | 2 | 6 | 2.8 | COc1ccc(C(=O)Nc2cc(OC)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 135468531 | 90824 | 25 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 342 | 3 | 2 | 4 | 3.4 | O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392141 | 90824 | 25 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 342 | 3 | 2 | 4 | 3.4 | O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 | 10.1021/jm400587g | |||
| 135468531 | 90824 | 25 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 342 | 3 | 2 | 4 | 3.4 | O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392141 | 90824 | 25 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 342 | 3 | 2 | 4 | 3.4 | O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 | 10.1021/jm400587g | |||
| 71733650 | 90843 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| CHEMBL2392161 | 90843 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| 137646097 | 157900 | 3 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 367 | 3 | 1 | 8 | 1.7 | COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+](=O)[O-] | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4084237 | 157900 | 3 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 367 | 3 | 1 | 8 | 1.7 | COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+](=O)[O-] | 10.1021/acs.jmedchem.6b01431 | |||
| 71733749 | 90854 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| CHEMBL2392172 | 90854 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| 71735032 | 90835 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 323 | 3 | 2 | 4 | 3.1 | Cc1cccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| CHEMBL2392153 | 90835 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 323 | 3 | 2 | 4 | 3.1 | Cc1cccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| 71733745 | 90850 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm400587g | |||
| CHEMBL2392168 | 90850 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm400587g | |||
| 71733744 | 90849 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 3.4 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392167 | 90849 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 3.4 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 71733652 | 90846 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 343 | 3 | 2 | 4 | 3.4 | O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm400587g | |||
| CHEMBL2392164 | 90846 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 343 | 3 | 2 | 4 | 3.4 | O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm400587g | |||
| 137652009 | 157514 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 320 | 3 | 2 | 10 | 0.5 | O=c1oc2c([N+](=O)[O-])c(O)c([N+](=O)[O-])cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4079816 | 157514 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 320 | 3 | 2 | 10 | 0.5 | O=c1oc2c([N+](=O)[O-])c(O)c([N+](=O)[O-])cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 137647862 | 157653 | 3 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 324 | 2 | 0 | 6 | 2.3 | COc1c(Br)cc2cc(C#N)c(=O)oc2c1[N+](=O)[O-] | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4081445 | 157653 | 3 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 324 | 2 | 0 | 6 | 2.3 | COc1c(Br)cc2cc(C#N)c(=O)oc2c1[N+](=O)[O-] | 10.1021/acs.jmedchem.6b01431 | |||
| 633803 | 115247 | 11 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 408 | 6 | 2 | 10 | 3.1 | CC(C)(c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| CHEMBL3347475 | 115247 | 11 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 408 | 6 | 2 | 10 | 3.1 | CC(C)(c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| 71734946 | 90833 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 359 | 3 | 2 | 4 | 3.9 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1 | 10.1021/jm400587g | |||
| CHEMBL2392151 | 90833 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 359 | 3 | 2 | 4 | 3.9 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1 | 10.1021/jm400587g | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 137662152 | 159391 | 9 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 353 | 2 | 2 | 8 | 1.3 | O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL4100677 | 159391 | 9 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 353 | 2 | 2 | 8 | 1.3 | O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.2c00461 | |||
| 135468531 | 90824 | 25 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 342 | 3 | 2 | 4 | 3.4 | O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392141 | 90824 | 25 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 342 | 3 | 2 | 4 | 3.4 | O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 | 10.1021/jm4009373 | |||
| 71733940 | 90865 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cn1 | 10.1021/jm400587g | |||
| CHEMBL2392183 | 90865 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cn1 | 10.1021/jm400587g | |||
| 71733940 | 90865 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cn1 | 10.1021/jm400587g | |||
| CHEMBL2392183 | 90865 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cn1 | 10.1021/jm400587g | |||
| 71733745 | 90850 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm4009373 | |||
| CHEMBL2392168 | 90850 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm4009373 | |||
| 71733745 | 90850 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm400587g | |||
| CHEMBL2392168 | 90850 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm400587g | |||
| 4488 | 203021 | 110 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/jm4009373 | |||
| CHEMBL63323 | 203021 | 110 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/jm4009373 | |||
| 1493 | 98090 | 76 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 184 | 2 | 1 | 5 | 1.2 | O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| CHEMBL273386 | 98090 | 76 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 184 | 2 | 1 | 5 | 1.2 | O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| 71733648 | 90841 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392159 | 90841 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1 | 10.1021/jm400587g | |||
| 71733743 | 90848 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 388 | 4 | 2 | 6 | 3.3 | O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm400587g | |||
| CHEMBL2392166 | 90848 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 388 | 4 | 2 | 6 | 3.3 | O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm400587g | |||
| 12138435 | 68057 | 29 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 329 | 1 | 0 | 4 | 4.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1914576 | 68057 | 29 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 329 | 1 | 0 | 4 | 4.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.6b01431 | |||
| 135399235 | 4134 | 60 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1039/C2MD20210G | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1039/C2MD20210G | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1039/C2MD20210G | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1039/C2MD20210G | |||
| 71733749 | 90854 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| CHEMBL2392172 | 90854 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm400587g | |||
| 137648473 | 157992 | 3 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 337 | 2 | 1 | 7 | 1.6 | O=c1oc2c([N+](=O)[O-])cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4085211 | 157992 | 3 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 337 | 2 | 1 | 7 | 1.6 | O=c1oc2c([N+](=O)[O-])cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 137648473 | 157992 | 3 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 337 | 2 | 1 | 7 | 1.6 | O=c1oc2c([N+](=O)[O-])cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4085211 | 157992 | 3 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 337 | 2 | 1 | 7 | 1.6 | O=c1oc2c([N+](=O)[O-])cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 71733748 | 90853 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392171 | 90853 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm400587g | |||
| 135399235 | 4134 | 60 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| 40119 | 84805 | 24 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 312 | 1 | 1 | 6 | 1.2 | O=C1c2ccccc2S(=O)(=O)c2cc(-c3nn[nH]n3)ccc21 | 10.1021/acsmedchemlett.7b00510 | |||
| CHEMBL22336 | 84805 | 24 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 312 | 1 | 1 | 6 | 1.2 | O=C1c2ccccc2S(=O)(=O)c2cc(-c3nn[nH]n3)ccc21 | 10.1021/acsmedchemlett.7b00510 | |||
| 71735036 | 90839 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392157 | 90839 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71735036 | 90839 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392157 | 90839 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 71735036 | 90839 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392157 | 90839 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 2295463 | 92221 | 34 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 279 | 4 | 2 | 5 | 1.5 | O=C(O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2425825 | 92221 | 34 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 279 | 4 | 2 | 5 | 1.5 | O=C(O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 | 10.1021/jm4009373 | |||
| 135399235 | 4134 | 60 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| 71735030 | 90834 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 360 | 3 | 2 | 5 | 3.3 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2n1 | 10.1021/jm400587g | |||
| CHEMBL2392152 | 90834 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 360 | 3 | 2 | 5 | 3.3 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2n1 | 10.1021/jm400587g | |||
| 71733938 | 90863 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 367 | 6 | 2 | 5 | 3.5 | CCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392181 | 90863 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 367 | 6 | 2 | 5 | 3.5 | CCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 13950958 | 157628 | 4 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 362 | 1 | 2 | 4 | 2.7 | O=C(O)c1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4081238 | 157628 | 4 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 362 | 1 | 2 | 4 | 2.7 | O=C(O)c1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 11872 | 107463 | 66 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 198 | 2 | 1 | 5 | 1.5 | Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| CHEMBL3183545 | 107463 | 66 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 198 | 2 | 1 | 5 | 1.5 | Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| 73294509 | 92218 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 353 | 4 | 2 | 5 | 3.1 | COc1ccc(C(=O)Nc2cc(C)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2425822 | 92218 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 353 | 4 | 2 | 5 | 3.1 | COc1ccc(C(=O)Nc2cc(C)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71733648 | 90841 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392159 | 90841 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1 | 10.1021/jm400587g | |||
| 71733842 | 90855 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 412 | 3 | 2 | 5 | 3.4 | N#Cc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392173 | 90855 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 412 | 3 | 2 | 5 | 3.4 | N#Cc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 73294321 | 92217 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 435 | 4 | 2 | 5 | 3.7 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1F | 10.1021/jm4009373 | |||
| CHEMBL2425820 | 92217 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 435 | 4 | 2 | 5 | 3.7 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1F | 10.1021/jm4009373 | |||
| 73294320 | 92216 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 435 | 4 | 2 | 5 | 3.7 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(F)c1 | 10.1021/jm4009373 | |||
| CHEMBL2425819 | 92216 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 435 | 4 | 2 | 5 | 3.7 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(F)c1 | 10.1021/jm4009373 | |||
| 71733747 | 90852 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 421 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392170 | 90852 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 421 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1 | 10.1021/jm400587g | |||
| 3325 | 2338 | 56 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | 10.1021/acs.jmedchem.6b01431 | |||
| 44564 | 2338 | 56 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | 10.1021/acs.jmedchem.6b01431 | |||
| 9743 | 2338 | 56 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1201266 | 2338 | 56 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | 10.1021/acs.jmedchem.6b01431 | |||
| DB06794 | 2338 | 56 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 311 | 2 | 4 | 5 | 0.3 | N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl | 10.1021/acs.jmedchem.6b01431 | |||
| 2161 | 8733 | 121 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 298 | 2 | 2 | 5 | 2.7 | CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1096 | 8733 | 121 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 298 | 2 | 2 | 5 | 2.7 | CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1 | 10.1021/acs.jmedchem.6b01431 | |||
| 71733848 | 90861 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 451 | 4 | 2 | 5 | 4.2 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 | 10.1021/jm400587g | |||
| CHEMBL2392179 | 90861 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 451 | 4 | 2 | 5 | 4.2 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 | 10.1021/jm400587g | |||
| 13681 | 115244 | 67 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 218 | 2 | 1 | 5 | 1.9 | O=[N+]([O-])c1cc(Cl)c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| CHEMBL3347428 | 115244 | 67 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 218 | 2 | 1 | 5 | 1.9 | O=[N+]([O-])c1cc(Cl)c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| CHEMBL5285029 | 194275 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 804 | 14 | 3 | 12 | 6.6 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 71734944 | 90830 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 315 | 3 | 2 | 4 | 3.0 | O=C(O)c1cc(=O)c2cccc(NC(=O)C3CCCCC3)c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392148 | 90830 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 315 | 3 | 2 | 4 | 3.0 | O=C(O)c1cc(=O)c2cccc(NC(=O)C3CCCCC3)c2o1 | 10.1021/jm400587g | |||
| 135399235 | 4134 | 60 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acs.jmedchem.6b01431 | |||
| 71733846 | 90859 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 447 | 5 | 2 | 6 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC | 10.1021/jm400587g | |||
| CHEMBL2392177 | 90859 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 447 | 5 | 2 | 6 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC | 10.1021/jm400587g | |||
| 71733846 | 90859 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 447 | 5 | 2 | 6 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC | 10.1021/jm400587g | |||
| CHEMBL2392177 | 90859 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 447 | 5 | 2 | 6 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC | 10.1021/jm400587g | |||
| 21236027 | 158987 | 4 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 313 | 2 | 1 | 5 | 2.2 | O=C(O)c1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4096323 | 158987 | 4 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 313 | 2 | 1 | 5 | 2.2 | O=C(O)c1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 71733652 | 90846 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 343 | 3 | 2 | 4 | 3.4 | O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm400587g | |||
| CHEMBL2392164 | 90846 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 343 | 3 | 2 | 4 | 3.4 | O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm400587g | |||
| 13950957 | 157328 | 7 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 284 | 1 | 2 | 4 | 2.0 | O=C(O)c1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4077503 | 157328 | 7 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 284 | 1 | 2 | 4 | 2.0 | O=C(O)c1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 21982642 | 90825 | 2 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 235 | 2 | 1 | 5 | 1.4 | O=C(O)c1cc(=O)c2cccc([N+](=O)[O-])c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392142 | 90825 | 2 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 235 | 2 | 1 | 5 | 1.4 | O=C(O)c1cc(=O)c2cccc([N+](=O)[O-])c2o1 | 10.1021/jm400587g | |||
| 71734946 | 90833 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 359 | 3 | 2 | 4 | 3.9 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1 | 10.1021/jm4009373 | |||
| CHEMBL2392151 | 90833 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 359 | 3 | 2 | 4 | 3.9 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1 | 10.1021/jm4009373 | |||
| 71734946 | 90833 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 359 | 3 | 2 | 4 | 3.9 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1 | 10.1021/jm400587g | |||
| CHEMBL2392151 | 90833 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 359 | 3 | 2 | 4 | 3.9 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1 | 10.1021/jm400587g | |||
| 71735036 | 90839 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392157 | 90839 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 137646246 | 157735 | 3 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 329 | 2 | 2 | 6 | 1.9 | O=C(O)c1cc2cc(Br)c(O)c([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4082281 | 157735 | 3 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 329 | 2 | 2 | 6 | 1.9 | O=C(O)c1cc2cc(Br)c(O)c([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 2882 | 1208 | 62 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| 741 | 1208 | 62 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| 7608 | 1208 | 62 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| CHEMBL428880 | 1208 | 62 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| DB01003 | 1208 | 62 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| CHEMBL5281778 | 194126 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 790 | 13 | 3 | 12 | 6.2 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 71735031 | 90831 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 309 | 3 | 2 | 4 | 2.7 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm4009373 | |||
| CHEMBL2392149 | 90831 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 309 | 3 | 2 | 4 | 2.7 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm4009373 | |||
| 71735031 | 90831 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 309 | 3 | 2 | 4 | 2.7 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm400587g | |||
| CHEMBL2392149 | 90831 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 309 | 3 | 2 | 4 | 2.7 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm400587g | |||
| 4659569 | 22331 | 101 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 273 | 3 | 2 | 5 | 2.5 | Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 | 10.1039/C2MD20210G | |||
| CHEMBL1324 | 22331 | 101 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 273 | 3 | 2 | 5 | 2.5 | Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 | 10.1039/C2MD20210G | |||
| 71733845 | 90858 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccccc1C(=O)Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| CHEMBL2392176 | 90858 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccccc1C(=O)Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| 71733940 | 90865 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cn1 | 10.1021/jm400587g | |||
| CHEMBL2392183 | 90865 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cn1 | 10.1021/jm400587g | |||
| 73294508 | 1140 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 453 | 4 | 2 | 5 | 3.8 | COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O | 10.1021/jm4009373 | |||
| 9742 | 1140 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 453 | 4 | 2 | 5 | 3.8 | COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O | 10.1021/jm4009373 | |||
| CHEMBL2425821 | 1140 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 453 | 4 | 2 | 5 | 3.8 | COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O | 10.1021/jm4009373 | |||
| 137662152 | 159391 | 9 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 353 | 2 | 2 | 8 | 1.3 | O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4100677 | 159391 | 9 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 353 | 2 | 2 | 8 | 1.3 | O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 137662152 | 159391 | 9 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 353 | 2 | 2 | 8 | 1.3 | O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4100677 | 159391 | 9 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 353 | 2 | 2 | 8 | 1.3 | O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm400587g | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm400587g | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm400587g | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm400587g | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| 71735036 | 90839 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392157 | 90839 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 137646246 | 157735 | 3 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 329 | 2 | 2 | 6 | 1.9 | O=C(O)c1cc2cc(Br)c(O)c([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4082281 | 157735 | 3 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 329 | 2 | 2 | 6 | 1.9 | O=C(O)c1cc2cc(Br)c(O)c([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 137646246 | 157735 | 3 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 329 | 2 | 2 | 6 | 1.9 | O=C(O)c1cc2cc(Br)c(O)c([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4082281 | 157735 | 3 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 329 | 2 | 2 | 6 | 1.9 | O=C(O)c1cc2cc(Br)c(O)c([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 2882 | 1208 | 62 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| 741 | 1208 | 62 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| 7608 | 1208 | 62 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL428880 | 1208 | 62 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| DB01003 | 1208 | 62 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| 2882 | 1208 | 62 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 741 | 1208 | 62 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 7608 | 1208 | 62 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL428880 | 1208 | 62 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| DB01003 | 1208 | 62 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 2882 | 1208 | 62 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| 741 | 1208 | 62 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| 7608 | 1208 | 62 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| CHEMBL428880 | 1208 | 62 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| DB01003 | 1208 | 62 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| 9492 | 5469 | 43 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 184 | 2 | 1 | 5 | 1.2 | O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1 | 10.1039/C2MD20210G | |||
| CHEMBL107513 | 5469 | 43 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 184 | 2 | 1 | 5 | 1.2 | O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1 | 10.1039/C2MD20210G | |||
| 11872 | 107463 | 66 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 198 | 2 | 1 | 5 | 1.5 | Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| CHEMBL3183545 | 107463 | 66 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 198 | 2 | 1 | 5 | 1.5 | Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| 4921319 | 107461 | 58 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 199 | 2 | 2 | 6 | 0.8 | Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| CHEMBL3183248 | 107461 | 58 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 199 | 2 | 2 | 6 | 0.8 | Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| 71735032 | 90835 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 323 | 3 | 2 | 4 | 3.1 | Cc1cccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| CHEMBL2392153 | 90835 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 323 | 3 | 2 | 4 | 3.1 | Cc1cccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| 3495594 | 17189 | 31 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 277 | 3 | 2 | 5 | 2.4 | O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F | 10.1039/C2MD20210G | |||
| CHEMBL1256291 | 17189 | 31 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 277 | 3 | 2 | 5 | 2.4 | O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F | 10.1039/C2MD20210G | |||
| 13681 | 115244 | 67 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 218 | 2 | 1 | 5 | 1.9 | O=[N+]([O-])c1cc(Cl)c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| CHEMBL3347428 | 115244 | 67 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 218 | 2 | 1 | 5 | 1.9 | O=[N+]([O-])c1cc(Cl)c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| 1231538 | 27518 | 29 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 6.0 | O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | 10.1016/j.bmcl.2016.12.012 | |||
| CHEMBL1368962 | 27518 | 29 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 6.0 | O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | 10.1016/j.bmcl.2016.12.012 | |||
| 5281081 | 207656 | 87 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 305 | 5 | 2 | 6 | 1.8 | CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| CHEMBL953 | 207656 | 87 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 305 | 5 | 2 | 6 | 1.8 | CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| 137632988 | 156368 | 3 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 294 | 1 | 0 | 5 | 2.3 | N#Cc1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4066109 | 156368 | 3 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 294 | 1 | 0 | 5 | 2.3 | N#Cc1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL5288015 | 194405 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 806 | 14 | 3 | 13 | 5.4 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCOCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 6191 | 115242 | 49 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 184 | 2 | 1 | 5 | 1.2 | O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-] | 10.1039/C2MD20210G | |||
| CHEMBL3347393 | 115242 | 49 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 184 | 2 | 1 | 5 | 1.2 | O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-] | 10.1039/C2MD20210G | |||
| 71733847 | 90860 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 431 | 3 | 2 | 6 | 3.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc2c(c1)OCO2 | 10.1021/jm400587g | |||
| CHEMBL2392178 | 90860 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 431 | 3 | 2 | 6 | 3.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc2c(c1)OCO2 | 10.1021/jm400587g | |||
| 3254949 | 115246 | 6 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 460 | 6 | 2 | 10 | 3.9 | O=[N+]([O-])c1cc(C(=C(Cl)Cl)c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| CHEMBL3347474 | 115246 | 6 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 460 | 6 | 2 | 10 | 3.9 | O=[N+]([O-])c1cc(C(=C(Cl)Cl)c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| 73294319 | 92220 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 391 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c(F)c1 | 10.1021/jm4009373 | |||
| CHEMBL2425824 | 92220 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 391 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c(F)c1 | 10.1021/jm4009373 | |||
| 135399235 | 4134 | 60 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| 2919 | 4134 | 60 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| 5722 | 4134 | 60 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| 118985385 | 1701 | 111 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| 1258 | 1701 | 111 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| 3440 | 1701 | 111 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| 4839 | 1701 | 111 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| CHEMBL35 | 1701 | 111 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| DB00695 | 1701 | 111 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| 71733846 | 90859 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 447 | 5 | 2 | 6 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC | 10.1021/jm400587g | |||
| CHEMBL2392177 | 90859 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 447 | 5 | 2 | 6 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC | 10.1021/jm400587g | |||
| 71733844 | 90857 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.9 | CCOc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392175 | 90857 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.9 | CCOc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm400587g | |||
| 71733846 | 90859 | 0 | None | - | 1 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 447 | 5 | 2 | 6 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC | 10.1021/jm400587g | |||
| CHEMBL2392177 | 90859 | 0 | None | - | 1 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 447 | 5 | 2 | 6 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC | 10.1021/jm400587g | |||
| 5281081 | 207656 | 87 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 305 | 5 | 2 | 6 | 1.8 | CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| CHEMBL953 | 207656 | 87 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 305 | 5 | 2 | 6 | 1.8 | CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1 | 10.1039/C2MD20210G | |||
| 137653726 | 158676 | 3 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 386 | 1 | 2 | 6 | 2.2 | O=c1oc2c(Br)c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4092954 | 158676 | 3 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 386 | 1 | 2 | 6 | 2.2 | O=c1oc2c(Br)c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 2918 | 2204 | 126 | None | - | 0 | Rat | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 10.1021/jm400587g | |||
| 3845 | 2204 | 126 | None | - | 0 | Rat | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 10.1021/jm400587g | |||
| CHEMBL299155 | 2204 | 126 | None | - | 0 | Rat | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 10.1021/jm400587g | |||
| DB11937 | 2204 | 126 | None | - | 0 | Rat | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 10.1021/jm400587g | |||
| 71734943 | 90829 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 305 | 4 | 2 | 6 | 1.0 | COC(=O)CC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| CHEMBL2392147 | 90829 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 305 | 4 | 2 | 6 | 1.0 | COC(=O)CC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| 20486870 | 61097 | 5 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 214 | 1 | 1 | 5 | 1.0 | O=c1oc2ccccc2cc1-c1nn[nH]n1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1765162 | 61097 | 5 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 214 | 1 | 1 | 5 | 1.0 | O=c1oc2ccccc2cc1-c1nn[nH]n1 | 10.1021/acs.jmedchem.6b01431 | |||
| 71733647 | 90840 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(Br)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392158 | 90840 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(Br)cc1 | 10.1021/jm400587g | |||
| 137653726 | 158676 | 3 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 386 | 1 | 2 | 6 | 2.2 | O=c1oc2c(Br)c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4092954 | 158676 | 3 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 386 | 1 | 2 | 6 | 2.2 | O=c1oc2c(Br)c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 10800 | 163409 | 59 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 198 | 2 | 1 | 5 | 1.5 | Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| CHEMBL419564 | 163409 | 59 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 198 | 2 | 1 | 5 | 1.5 | Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| 71735033 | 90836 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 354 | 4 | 2 | 6 | 2.7 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1cccc([N+](=O)[O-])c1 | 10.1021/jm400587g | |||
| CHEMBL2392154 | 90836 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 354 | 4 | 2 | 6 | 2.7 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1cccc([N+](=O)[O-])c1 | 10.1021/jm400587g | |||
| 71733746 | 90851 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 401 | 3 | 2 | 4 | 3.8 | Cc1cccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| CHEMBL2392169 | 90851 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 401 | 3 | 2 | 4 | 3.8 | Cc1cccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| 137632988 | 156368 | 3 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 294 | 1 | 0 | 5 | 2.3 | N#Cc1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4066109 | 156368 | 3 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 294 | 1 | 0 | 5 | 2.3 | N#Cc1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 2882 | 1208 | 62 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 741 | 1208 | 62 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 7608 | 1208 | 62 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL428880 | 1208 | 62 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| DB01003 | 1208 | 62 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 2882 | 1208 | 62 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| 741 | 1208 | 62 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| 7608 | 1208 | 62 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL428880 | 1208 | 62 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| DB01003 | 1208 | 62 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acs.jmedchem.6b01431 | |||
| 137632781 | 156287 | 3 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 370 | 1 | 1 | 5 | 2.5 | O=c1oc2c(Br)cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4065291 | 156287 | 3 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 370 | 1 | 1 | 5 | 2.5 | O=c1oc2c(Br)cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 137641148 | 157047 | 3 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 308 | 1 | 2 | 6 | 1.4 | O=c1oc2cc(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4073902 | 157047 | 3 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 308 | 1 | 2 | 6 | 1.4 | O=c1oc2cc(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 4659569 | 22331 | 101 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 273 | 3 | 2 | 5 | 2.5 | Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 | 10.1039/C2MD20210G | |||
| CHEMBL1324 | 22331 | 101 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 273 | 3 | 2 | 5 | 2.5 | Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 | 10.1039/C2MD20210G | |||
| 11312 | 111518 | 63 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 184 | 2 | 1 | 5 | 1.2 | O=[N+]([O-])c1cccc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| CHEMBL3278560 | 111518 | 63 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 184 | 2 | 1 | 5 | 1.2 | O=[N+]([O-])c1cccc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| CHEMBL5289040 | 194454 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 776 | 12 | 3 | 12 | 5.8 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 135468531 | 90824 | 25 | None | - | 0 | Rat | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 342 | 3 | 2 | 4 | 3.4 | O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392141 | 90824 | 25 | None | - | 0 | Rat | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 342 | 3 | 2 | 4 | 3.4 | O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 | 10.1021/jm400587g | |||
| 71733647 | 90840 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(Br)cc1 | 10.1021/jm400587g | |||
| CHEMBL2392158 | 90840 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(Br)cc1 | 10.1021/jm400587g | |||
| 10800 | 163409 | 59 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 198 | 2 | 1 | 5 | 1.5 | Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| CHEMBL419564 | 163409 | 59 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 198 | 2 | 1 | 5 | 1.5 | Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O | 10.1039/C2MD20210G | |||
| 5464105 | 57832 | 67 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 265 | 4 | 2 | 6 | 1.6 | CC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O | 10.1039/C2MD20210G | |||
| CHEMBL167055 | 57832 | 67 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 265 | 4 | 2 | 6 | 1.6 | CC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O | 10.1039/C2MD20210G | |||
| 137654727 | 158745 | 3 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 357 | 1 | 0 | 4 | 3.2 | COc1c(Br)cc2cc(C#N)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4093683 | 158745 | 3 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 357 | 1 | 0 | 4 | 3.2 | COc1c(Br)cc2cc(C#N)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| 71733746 | 90851 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 401 | 3 | 2 | 4 | 3.8 | Cc1cccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| CHEMBL2392169 | 90851 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 401 | 3 | 2 | 4 | 3.8 | Cc1cccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm400587g | |||
| 5066064 | 157372 | 6 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 239 | 0 | 0 | 3 | 3.0 | N#Cc1cc2cc(Cl)cc(Cl)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4078055 | 157372 | 6 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 239 | 0 | 0 | 3 | 3.0 | N#Cc1cc2cc(Cl)cc(Cl)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 3495594 | 17189 | 31 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 277 | 3 | 2 | 5 | 2.4 | O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F | 10.1039/C2MD20210G | |||
| CHEMBL1256291 | 17189 | 31 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 277 | 3 | 2 | 5 | 2.4 | O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F | 10.1039/C2MD20210G | |||
| 71733648 | 90841 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1 | 10.1021/jm400587g | |||
| CHEMBL2392159 | 90841 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1 | 10.1021/jm400587g | |||
| 137658472 | 159800 | 3 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 3.0 | COc1c(Br)cc2cc(C(=O)O)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4105535 | 159800 | 3 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 3.0 | COc1c(Br)cc2cc(C(=O)O)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| 137658472 | 159800 | 3 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 3.0 | COc1c(Br)cc2cc(C(=O)O)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4105535 | 159800 | 3 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 3.0 | COc1c(Br)cc2cc(C(=O)O)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| 71734945 | 90832 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 323 | 4 | 2 | 4 | 2.7 | O=C(Cc1ccccc1)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| CHEMBL2392150 | 90832 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 323 | 4 | 2 | 4 | 2.7 | O=C(Cc1ccccc1)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm400587g | |||
| 10752 | 205817 | 100 | None | - | 0 | Human | 4.0 | pEC50 | = | 4.0 | Binding | ChEMBL | 190 | 1 | 1 | 3 | 1.5 | O=C(O)c1cc2ccccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL83294 | 205817 | 100 | None | - | 0 | Human | 4.0 | pEC50 | = | 4.0 | Binding | ChEMBL | 190 | 1 | 1 | 3 | 1.5 | O=C(O)c1cc2ccccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 137643561 | 158052 | 3 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 265 | 0 | 1 | 4 | 2.1 | N#Cc1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4085935 | 158052 | 3 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 265 | 0 | 1 | 4 | 2.1 | N#Cc1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 137632781 | 156287 | 3 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 370 | 1 | 1 | 5 | 2.5 | O=c1oc2c(Br)cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4065291 | 156287 | 3 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 370 | 1 | 1 | 5 | 2.5 | O=c1oc2c(Br)cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 137632781 | 156287 | 3 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 370 | 1 | 1 | 5 | 2.5 | O=c1oc2c(Br)cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4065291 | 156287 | 3 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 370 | 1 | 1 | 5 | 2.5 | O=c1oc2c(Br)cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 54676038 | 38723 | 77 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 336 | 2 | 2 | 6 | 2.9 | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O | 10.1021/jm4009373 | |||
| CHEMBL1466 | 38723 | 77 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 336 | 2 | 2 | 6 | 2.9 | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O | 10.1021/jm4009373 | |||
| 135399235 | 4134 | 60 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| 2919 | 4134 | 60 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| 5722 | 4134 | 60 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm400587g | |||
| 2882 | 1208 | 62 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| 741 | 1208 | 62 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| 7608 | 1208 | 62 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| CHEMBL428880 | 1208 | 62 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| DB01003 | 1208 | 62 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm400587g | |||
| 71733940 | 90865 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cn1 | 10.1021/jm400587g | |||
| CHEMBL2392183 | 90865 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cn1 | 10.1021/jm400587g | |||
| 5281855 | 202843 | 109 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 302 | 0 | 4 | 8 | 1.3 | O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 | 10.1021/ml2003058 | |||
| CHEMBL6246 | 202843 | 109 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 302 | 0 | 4 | 8 | 1.3 | O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 | 10.1021/ml2003058 | |||
| 10752 | 205817 | 100 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 190 | 1 | 1 | 3 | 1.5 | O=C(O)c1cc2ccccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL83294 | 205817 | 100 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 190 | 1 | 1 | 3 | 1.5 | O=C(O)c1cc2ccccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL5289040 | 194454 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 776 | 12 | 3 | 12 | 5.8 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 2745687 | 933 | 31 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/jm4009373 | |||
| 9741 | 933 | 31 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/jm4009373 | |||
| CHEMBL1708510 | 933 | 31 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/jm4009373 | |||
| 725495 | 65536 | 66 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 346 | 1 | 1 | 3 | 3.0 | O=C(O)c1cc2cc(Br)cc(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1830823 | 65536 | 66 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 346 | 1 | 1 | 3 | 3.0 | O=C(O)c1cc2cc(Br)cc(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 16103462 | 68069 | 19 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/ml2003058 | |||
| CHEMBL1914588 | 68069 | 19 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 276 | 1 | 1 | 3 | 3.7 | Cc1c(C(=O)O)sc2c(Br)csc12 | 10.1021/ml2003058 | |||
| 153273978 | 195926 | 4 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 248 | 1 | 4 | 5 | 1.0 | O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 | 10.1021/ml2003058 | |||
| 5098885 | 195926 | 4 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 248 | 1 | 4 | 5 | 1.0 | O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 | 10.1021/ml2003058 | |||
| CHEMBL559337 | 195926 | 4 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 248 | 1 | 4 | 5 | 1.0 | O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 | 10.1021/ml2003058 | |||
| 694463 | 87480 | 90 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 268 | 1 | 1 | 3 | 2.3 | O=C(O)c1cc2cc(Br)ccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL2333943 | 87480 | 90 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 268 | 1 | 1 | 3 | 2.3 | O=C(O)c1cc2cc(Br)ccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 135399235 | 4134 | 60 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml2003058 | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml2003058 | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml2003058 | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/ml2003058 | |||
| 4488 | 203021 | 110 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/ml2003058 | |||
| CHEMBL63323 | 203021 | 110 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/ml2003058 | |||
| 137652009 | 157514 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 320 | 3 | 2 | 10 | 0.5 | O=c1oc2c([N+](=O)[O-])c(O)c([N+](=O)[O-])cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4079816 | 157514 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 320 | 3 | 2 | 10 | 0.5 | O=c1oc2c([N+](=O)[O-])c(O)c([N+](=O)[O-])cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 137635873 | 155872 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 539 | 6 | 1 | 6 | 5.0 | O=C(Nc1ccc2nc([S+]([O-])Cc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | 10.1016/j.bmcl.2016.12.012 | |||
| CHEMBL4060393 | 155872 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 539 | 6 | 1 | 6 | 5.0 | O=C(Nc1ccc2nc([S+]([O-])Cc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | 10.1016/j.bmcl.2016.12.012 | |||
| 271643 | 32780 | 70 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 224 | 1 | 1 | 3 | 2.1 | O=C(O)c1cc2cc(Cl)ccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1414071 | 32780 | 70 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 224 | 1 | 1 | 3 | 2.1 | O=C(O)c1cc2cc(Cl)ccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 137636652 | 156049 | 3 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 322 | 2 | 1 | 6 | 1.7 | COc1cc2oc(=O)c(-c3nnn[nH]3)cc2cc1Br | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4062531 | 156049 | 3 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 322 | 2 | 1 | 6 | 1.7 | COc1cc2oc(=O)c(-c3nnn[nH]3)cc2cc1Br | 10.1021/acs.jmedchem.6b01431 | |||
| 137655259 | 158968 | 3 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 327 | 0 | 0 | 3 | 3.2 | N#Cc1cc2cc(Br)cc(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4096105 | 158968 | 3 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 327 | 0 | 0 | 3 | 3.2 | N#Cc1cc2cc(Br)cc(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 5280343 | 188275 | 124 | None | - | 32 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | |||
| CHEMBL1520590 | 188275 | 124 | None | - | 32 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | |||
| CHEMBL50 | 188275 | 124 | None | - | 32 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | |||
| 411 | 2593 | 92 | None | - | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O | 10.1021/ml2003058 | |||
| 5281670 | 2593 | 92 | None | - | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O | 10.1021/ml2003058 | |||
| CHEMBL28626 | 2593 | 92 | None | - | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O | 10.1021/ml2003058 | |||
| 137647862 | 157653 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 324 | 2 | 0 | 6 | 2.3 | COc1c(Br)cc2cc(C#N)c(=O)oc2c1[N+](=O)[O-] | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4081445 | 157653 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 324 | 2 | 0 | 6 | 2.3 | COc1c(Br)cc2cc(C#N)c(=O)oc2c1[N+](=O)[O-] | 10.1021/acs.jmedchem.6b01431 | |||
| 137647638 | 157638 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 537 | 6 | 1 | 6 | 6.5 | CC(Sc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2016.12.012 | |||
| CHEMBL4081331 | 157638 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 537 | 6 | 1 | 6 | 6.5 | CC(Sc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2016.12.012 | |||
| 5215 | 2386 | 132 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O | 10.1021/ml2003058 | |||
| 5280445 | 2386 | 132 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O | 10.1021/ml2003058 | |||
| CHEMBL151 | 2386 | 132 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O | 10.1021/ml2003058 | |||
| 2745687 | 933 | 31 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 9741 | 933 | 31 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL1708510 | 933 | 31 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 2745687 | 933 | 31 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/jm4009373 | |||
| 9741 | 933 | 31 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/jm4009373 | |||
| CHEMBL1708510 | 933 | 31 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/jm4009373 | |||
| 5281672 | 56554 | 121 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 318 | 1 | 6 | 8 | 1.7 | O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | |||
| CHEMBL164 | 56554 | 121 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 318 | 1 | 6 | 8 | 1.7 | O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/ml2003058 | |||
| 782693 | 158241 | 32 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 205 | 0 | 0 | 3 | 2.3 | N#Cc1cc2cc(Cl)ccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4088382 | 158241 | 32 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 205 | 0 | 0 | 3 | 2.3 | N#Cc1cc2cc(Cl)ccc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 137653726 | 158676 | 3 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 386 | 1 | 2 | 6 | 2.2 | O=c1oc2c(Br)c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4092954 | 158676 | 3 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 386 | 1 | 2 | 6 | 2.2 | O=c1oc2c(Br)c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 657910 | 53452 | 53 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 2.8 | O=C(O)c1cc2cc(Cl)cc(Cl)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1600989 | 53452 | 53 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 258 | 1 | 1 | 3 | 2.8 | O=C(O)c1cc2cc(Cl)cc(Cl)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 2286812 | 29466 | 35 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 482 | 8 | 3 | 6 | 4.7 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL1384502 | 29466 | 35 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 482 | 8 | 3 | 6 | 4.7 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | 10.1021/acsmedchemlett.2c00461 | |||
| 2286812 | 29466 | 35 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 482 | 8 | 3 | 6 | 4.7 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | 10.1021/jm4009373 | |||
| CHEMBL1384502 | 29466 | 35 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 482 | 8 | 3 | 6 | 4.7 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | 10.1021/jm4009373 | |||
| 137646097 | 157900 | 3 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 367 | 3 | 1 | 8 | 1.7 | COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+](=O)[O-] | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4084237 | 157900 | 3 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 367 | 3 | 1 | 8 | 1.7 | COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+](=O)[O-] | 10.1021/acs.jmedchem.6b01431 | |||
| 5281605 | 205732 | 114 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | 10.1021/ml2003058 | |||
| CHEMBL8260 | 205732 | 114 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | 10.1021/ml2003058 | |||
| 137658268 | 159662 | 3 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 343 | 0 | 1 | 4 | 2.9 | N#Cc1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4103860 | 159662 | 3 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 343 | 0 | 1 | 4 | 2.9 | N#Cc1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 135403802 | 26531 | 56 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 300 | 0 | 4 | 6 | 1.3 | O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O | 10.1021/ml2003058 | |||
| CHEMBL1360563 | 26531 | 56 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 300 | 0 | 4 | 6 | 1.3 | O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O | 10.1021/ml2003058 | |||
| 5328791 | 204984 | 64 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 189 | 2 | 2 | 3 | 1.4 | N#C/C(=C\c1ccc(O)cc1)C(=O)O | 10.1021/ml2003058 | |||
| CHEMBL76602 | 204984 | 64 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 189 | 2 | 2 | 3 | 1.4 | N#C/C(=C\c1ccc(O)cc1)C(=O)O | 10.1021/ml2003058 | |||
| 137646246 | 157735 | 3 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 329 | 2 | 2 | 6 | 1.9 | O=C(O)c1cc2cc(Br)c(O)c([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4082281 | 157735 | 3 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 329 | 2 | 2 | 6 | 1.9 | O=C(O)c1cc2cc(Br)c(O)c([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 137648473 | 157992 | 3 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 337 | 2 | 1 | 7 | 1.6 | O=c1oc2c([N+](=O)[O-])cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4085211 | 157992 | 3 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 337 | 2 | 1 | 7 | 1.6 | O=c1oc2c([N+](=O)[O-])cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 21236027 | 158987 | 4 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 313 | 2 | 1 | 5 | 2.2 | O=C(O)c1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4096323 | 158987 | 4 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 313 | 2 | 1 | 5 | 2.2 | O=C(O)c1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 13950957 | 157328 | 7 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 284 | 1 | 2 | 4 | 2.0 | O=C(O)c1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4077503 | 157328 | 7 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 284 | 1 | 2 | 4 | 2.0 | O=C(O)c1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 137632781 | 156287 | 3 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 370 | 1 | 1 | 5 | 2.5 | O=c1oc2c(Br)cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4065291 | 156287 | 3 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 370 | 1 | 1 | 5 | 2.5 | O=c1oc2c(Br)cc(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 5491415 | 75292 | 19 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 537 | 6 | 8 | 10 | 1.7 | CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1 | 10.1021/ml2003058 | |||
| CHEMBL2037378 | 75292 | 19 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 537 | 6 | 8 | 10 | 1.7 | CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1 | 10.1021/ml2003058 | |||
| 2918 | 2204 | 126 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 10.1016/j.bmcl.2016.12.012 | |||
| 3845 | 2204 | 126 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 10.1016/j.bmcl.2016.12.012 | |||
| CHEMBL299155 | 2204 | 126 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 10.1016/j.bmcl.2016.12.012 | |||
| DB11937 | 2204 | 126 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | 10.1016/j.bmcl.2016.12.012 | |||
| CHEMBL5285029 | 194275 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 804 | 14 | 3 | 12 | 6.6 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 73157 | 195359 | 30 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 456 | 10 | 2 | 7 | 5.5 | CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2 | 10.1021/ml2003058 | |||
| CHEMBL551842 | 195359 | 30 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 456 | 10 | 2 | 7 | 5.5 | CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2 | 10.1021/ml2003058 | |||
| 1231538 | 27518 | 29 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 6.0 | O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | 10.1016/j.bmcl.2016.12.012 | |||
| CHEMBL1368962 | 27518 | 29 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 6.0 | O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | 10.1016/j.bmcl.2016.12.012 | |||
| 137657450 | 159595 | 3 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 2.5 | COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4103143 | 159595 | 3 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 2.5 | COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| 3884 | 44498 | 77 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 242 | 2 | 1 | 3 | 3.2 | CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O | 10.1021/ml2003058 | |||
| CHEMBL15193 | 44498 | 77 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 242 | 2 | 1 | 3 | 3.2 | CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O | 10.1021/ml2003058 | |||
| 137641148 | 157047 | 3 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 308 | 1 | 2 | 6 | 1.4 | O=c1oc2cc(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4073902 | 157047 | 3 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 308 | 1 | 2 | 6 | 1.4 | O=c1oc2cc(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL5285029 | 194275 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 804 | 14 | 3 | 12 | 6.6 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 20486870 | 61097 | 5 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 1 | 1 | 5 | 1.0 | O=c1oc2ccccc2cc1-c1nn[nH]n1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL1765162 | 61097 | 5 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 1 | 1 | 5 | 1.0 | O=c1oc2ccccc2cc1-c1nn[nH]n1 | 10.1021/acs.jmedchem.6b01431 | |||
| 2286812 | 29466 | 35 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 482 | 8 | 3 | 6 | 4.7 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | 10.1021/jm4009373 | |||
| CHEMBL1384502 | 29466 | 35 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 482 | 8 | 3 | 6 | 4.7 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | 10.1021/jm4009373 | |||
| 137646699 | 157737 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 555 | 6 | 1 | 7 | 4.6 | O=C(Nc1ccc2nc(S(=O)(=O)Cc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | 10.1016/j.bmcl.2016.12.012 | |||
| CHEMBL4082295 | 157737 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 555 | 6 | 1 | 7 | 4.6 | O=C(Nc1ccc2nc(S(=O)(=O)Cc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | 10.1016/j.bmcl.2016.12.012 | |||
| CHEMBL5281778 | 194126 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 790 | 13 | 3 | 12 | 6.2 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 13950958 | 157628 | 4 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 362 | 1 | 2 | 4 | 2.7 | O=C(O)c1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4081238 | 157628 | 4 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 362 | 1 | 2 | 4 | 2.7 | O=C(O)c1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 2745687 | 933 | 31 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/jm4009373 | |||
| 9741 | 933 | 31 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/jm4009373 | |||
| CHEMBL1708510 | 933 | 31 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/jm4009373 | |||
| 137654727 | 158745 | 3 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 357 | 1 | 0 | 4 | 3.2 | COc1c(Br)cc2cc(C#N)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4093683 | 158745 | 3 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 357 | 1 | 0 | 4 | 3.2 | COc1c(Br)cc2cc(C#N)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| 137632988 | 156368 | 3 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 294 | 1 | 0 | 5 | 2.3 | N#Cc1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4066109 | 156368 | 3 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 294 | 1 | 0 | 5 | 2.3 | N#Cc1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL5288015 | 194405 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 806 | 14 | 3 | 13 | 5.4 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCOCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 5346366 | 41498 | 6 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 489 | 6 | 1 | 6 | 5.3 | O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | 10.1016/j.bmcl.2016.12.012 | |||
| CHEMBL1490915 | 41498 | 6 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 489 | 6 | 1 | 6 | 5.3 | O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | 10.1016/j.bmcl.2016.12.012 | |||
| 137658472 | 159800 | 3 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 3.0 | COc1c(Br)cc2cc(C(=O)O)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4105535 | 159800 | 3 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 3.0 | COc1c(Br)cc2cc(C(=O)O)c(=O)oc2c1Br | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL5288015 | 194405 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 806 | 14 | 3 | 13 | 5.4 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCOCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 137662152 | 159391 | 9 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 353 | 2 | 2 | 8 | 1.3 | O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4100677 | 159391 | 9 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 353 | 2 | 2 | 8 | 1.3 | O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acs.jmedchem.6b01431 | |||
| 5066064 | 157372 | 6 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 239 | 0 | 0 | 3 | 3.0 | N#Cc1cc2cc(Cl)cc(Cl)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4078055 | 157372 | 6 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 239 | 0 | 0 | 3 | 3.0 | N#Cc1cc2cc(Cl)cc(Cl)c2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL5281778 | 194126 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 790 | 13 | 3 | 12 | 6.2 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL5289040 | 194454 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 776 | 12 | 3 | 12 | 5.8 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 137643561 | 158052 | 3 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 265 | 0 | 1 | 4 | 2.1 | N#Cc1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| CHEMBL4085935 | 158052 | 3 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 265 | 0 | 1 | 4 | 2.1 | N#Cc1cc2cc(Br)c(O)cc2oc1=O | 10.1021/acs.jmedchem.6b01431 | |||
| 71733843 | 90856 | 6 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392174 | 90856 | 6 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2425818 | 90856 | 6 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL5288015 | 194405 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 806 | 14 | 3 | 13 | 5.4 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCOCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL5281778 | 194126 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 790 | 13 | 3 | 12 | 6.2 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 71733843 | 90856 | 6 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392174 | 90856 | 6 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2425818 | 90856 | 6 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71733843 | 90856 | 6 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392174 | 90856 | 6 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2425818 | 90856 | 6 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71733843 | 90856 | 6 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392174 | 90856 | 6 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2425818 | 90856 | 6 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL5289040 | 194454 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 776 | 12 | 3 | 12 | 5.8 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL5285029 | 194275 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 804 | 14 | 3 | 12 | 6.6 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 73294508 | 1140 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 453 | 4 | 2 | 5 | 3.8 | COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O | 10.1021/jm4009373 | |||
| 9742 | 1140 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 453 | 4 | 2 | 5 | 3.8 | COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O | 10.1021/jm4009373 | |||
| CHEMBL2425821 | 1140 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 453 | 4 | 2 | 5 | 3.8 | COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O | 10.1021/jm4009373 | |||
| 71733748 | 90853 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm4009373 | |||
| CHEMBL2392171 | 90853 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm4009373 | |||
| 71733848 | 90861 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 451 | 4 | 2 | 5 | 4.2 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 | 10.1021/jm4009373 | |||
| CHEMBL2392179 | 90861 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 451 | 4 | 2 | 5 | 4.2 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 | 10.1021/jm4009373 | |||
| 73294320 | 92216 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 435 | 4 | 2 | 5 | 3.7 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(F)c1 | 10.1021/jm4009373 | |||
| CHEMBL2425819 | 92216 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 435 | 4 | 2 | 5 | 3.7 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(F)c1 | 10.1021/jm4009373 | |||
| 73294321 | 92217 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 435 | 4 | 2 | 5 | 3.7 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1F | 10.1021/jm4009373 | |||
| CHEMBL2425820 | 92217 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 435 | 4 | 2 | 5 | 3.7 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1F | 10.1021/jm4009373 | |||
| 73294319 | 92220 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 391 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c(F)c1 | 10.1021/jm4009373 | |||
| CHEMBL2425824 | 92220 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 391 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c(F)c1 | 10.1021/jm4009373 | |||
| 145971442 | 163027 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL4175848 | 163027 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.2c00461 | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 71735035 | 90838 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 377 | 3 | 2 | 4 | 3.8 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(C(F)(F)F)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392156 | 90838 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 377 | 3 | 2 | 4 | 3.8 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(C(F)(F)F)cc1 | 10.1021/jm4009373 | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm4009373 | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm4009373 | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm4009373 | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/jm4009373 | |||
| 71733650 | 90843 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm4009373 | |||
| CHEMBL2392161 | 90843 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm4009373 | |||
| 71733648 | 90841 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1 | 10.1021/jm4009373 | |||
| CHEMBL2392159 | 90841 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1 | 10.1021/jm4009373 | |||
| 71733746 | 90851 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 3 | 2 | 4 | 3.8 | Cc1cccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm4009373 | |||
| CHEMBL2392169 | 90851 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 3 | 2 | 4 | 3.8 | Cc1cccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm4009373 | |||
| 21982642 | 90825 | 2 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 235 | 2 | 1 | 5 | 1.4 | O=C(O)c1cc(=O)c2cccc([N+](=O)[O-])c2o1 | 10.1021/jm4009373 | |||
| CHEMBL2392142 | 90825 | 2 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 235 | 2 | 1 | 5 | 1.4 | O=C(O)c1cc(=O)c2cccc([N+](=O)[O-])c2o1 | 10.1021/jm4009373 | |||
| 71733652 | 90846 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 3 | 2 | 4 | 3.4 | O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm4009373 | |||
| CHEMBL2392164 | 90846 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 3 | 2 | 4 | 3.4 | O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm4009373 | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 71733842 | 90855 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 412 | 3 | 2 | 5 | 3.4 | N#Cc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392173 | 90855 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 412 | 3 | 2 | 5 | 3.4 | N#Cc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71733847 | 90860 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 431 | 3 | 2 | 6 | 3.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc2c(c1)OCO2 | 10.1021/jm4009373 | |||
| CHEMBL2392178 | 90860 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 431 | 3 | 2 | 6 | 3.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc2c(c1)OCO2 | 10.1021/jm4009373 | |||
| 71733743 | 90848 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 388 | 4 | 2 | 6 | 3.3 | O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392166 | 90848 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 388 | 4 | 2 | 6 | 3.3 | O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm4009373 | |||
| 71734941 | 90827 | 2 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 247 | 2 | 2 | 4 | 1.5 | CC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm4009373 | |||
| CHEMBL2392145 | 90827 | 2 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 247 | 2 | 2 | 4 | 1.5 | CC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm4009373 | |||
| 71734943 | 90829 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 305 | 4 | 2 | 6 | 1.0 | COC(=O)CC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm4009373 | |||
| CHEMBL2392147 | 90829 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 305 | 4 | 2 | 6 | 1.0 | COC(=O)CC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm4009373 | |||
| 71734940 | 90845 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 5 | 1 | 6 | 3.4 | CCOC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(OC)cc3)c2o1 | 10.1021/jm4009373 | |||
| CHEMBL2392163 | 90845 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 5 | 1 | 6 | 3.4 | CCOC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(OC)cc3)c2o1 | 10.1021/jm4009373 | |||
| 71733749 | 90854 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm4009373 | |||
| CHEMBL2392172 | 90854 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 455 | 3 | 2 | 4 | 4.8 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 | 10.1021/jm4009373 | |||
| 73294510 | 92219 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 369 | 5 | 2 | 6 | 2.8 | COc1ccc(C(=O)Nc2cc(OC)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2425823 | 92219 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 369 | 5 | 2 | 6 | 2.8 | COc1ccc(C(=O)Nc2cc(OC)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71735036 | 90839 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392157 | 90839 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 2.8 | COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71733846 | 90859 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 447 | 5 | 2 | 6 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC | 10.1021/jm4009373 | |||
| CHEMBL2392177 | 90859 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 447 | 5 | 2 | 6 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC | 10.1021/jm4009373 | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 71733647 | 90840 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(Br)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392158 | 90840 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(Br)cc1 | 10.1021/jm4009373 | |||
| 2882 | 1208 | 62 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| 741 | 1208 | 62 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| 7608 | 1208 | 62 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| CHEMBL428880 | 1208 | 62 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| DB01003 | 1208 | 62 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/jm4009373 | |||
| 2745687 | 933 | 31 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 9741 | 933 | 31 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL1708510 | 933 | 31 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/acsmedchemlett.2c00461 | |||
| 71733651 | 90844 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392162 | 90844 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 4 | 2 | 5 | 2.9 | COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71733940 | 90865 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cn1 | 10.1021/jm4009373 | |||
| CHEMBL2392183 | 90865 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cn1 | 10.1021/jm4009373 | |||
| 71733653 | 90847 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 357 | 3 | 2 | 4 | 3.7 | Cc1cccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm4009373 | |||
| CHEMBL2392165 | 90847 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 357 | 3 | 2 | 4 | 3.7 | Cc1cccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm4009373 | |||
| 71734945 | 90832 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 323 | 4 | 2 | 4 | 2.7 | O=C(Cc1ccccc1)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm4009373 | |||
| CHEMBL2392150 | 90832 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 323 | 4 | 2 | 4 | 2.7 | O=C(Cc1ccccc1)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm4009373 | |||
| 154634314 | 186609 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2c2cc(C(=O)O)c(=O)oc12 | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL4878979 | 186609 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 408 | 4 | 2 | 7 | 3.0 | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2c2cc(C(=O)O)c(=O)oc12 | 10.1021/acsmedchemlett.2c00461 | |||
| 2882 | 1208 | 62 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 741 | 1208 | 62 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 7608 | 1208 | 62 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL428880 | 1208 | 62 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| DB01003 | 1208 | 62 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 71734939 | 90826 | 1 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 283 | 1 | 2 | 4 | 1.8 | Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm4009373 | |||
| CHEMBL2392144 | 90826 | 1 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 283 | 1 | 2 | 4 | 1.8 | Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm4009373 | |||
| 118985385 | 1701 | 111 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| 1258 | 1701 | 111 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| 3440 | 1701 | 111 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| 4839 | 1701 | 111 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| CHEMBL35 | 1701 | 111 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| DB00695 | 1701 | 111 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | 10.1021/jm4009373 | |||
| 71735031 | 90831 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 2 | 4 | 2.7 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm4009373 | |||
| CHEMBL2392149 | 90831 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 2 | 4 | 2.7 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm4009373 | |||
| 71733845 | 90858 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccccc1C(=O)Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm4009373 | |||
| CHEMBL2392176 | 90858 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccccc1C(=O)Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm4009373 | |||
| 1024 | 16488 | 106 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 330 | 3 | 4 | 6 | 0.6 | O=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2 | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL1235421 | 16488 | 106 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 330 | 3 | 4 | 6 | 0.6 | O=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2 | 10.1021/acsmedchemlett.2c00461 | |||
| 13950958 | 157628 | 4 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 1 | 2 | 4 | 2.7 | O=C(O)c1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL4081238 | 157628 | 4 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 1 | 2 | 4 | 2.7 | O=C(O)c1cc2cc(Br)c(O)c(Br)c2oc1=O | 10.1021/acsmedchemlett.2c00461 | |||
| 71734944 | 90830 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 3 | 2 | 4 | 3.0 | O=C(O)c1cc(=O)c2cccc(NC(=O)C3CCCCC3)c2o1 | 10.1021/jm4009373 | |||
| CHEMBL2392148 | 90830 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 3 | 2 | 4 | 3.0 | O=C(O)c1cc(=O)c2cccc(NC(=O)C3CCCCC3)c2o1 | 10.1021/jm4009373 | |||
| 4488 | 203021 | 110 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/jm4009373 | |||
| CHEMBL63323 | 203021 | 110 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | 10.1021/jm4009373 | |||
| 71733937 | 90862 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 379 | 6 | 2 | 5 | 3.5 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(OCC2CC2)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392180 | 90862 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 379 | 6 | 2 | 5 | 3.5 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(OCC2CC2)cc1 | 10.1021/jm4009373 | |||
| 54676038 | 38723 | 77 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 336 | 2 | 2 | 6 | 2.9 | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O | 10.1021/jm4009373 | |||
| CHEMBL1466 | 38723 | 77 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 336 | 2 | 2 | 6 | 2.9 | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O | 10.1021/jm4009373 | |||
| 2286812 | 29466 | 35 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 482 | 8 | 3 | 6 | 4.7 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL1384502 | 29466 | 35 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 482 | 8 | 3 | 6 | 4.7 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | 10.1021/acsmedchemlett.2c00461 | |||
| 71733649 | 90842 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm4009373 | |||
| CHEMBL2392160 | 90842 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 395 | 3 | 2 | 4 | 4.2 | O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 | 10.1021/jm4009373 | |||
| 71733747 | 90852 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 421 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392170 | 90852 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 421 | 3 | 2 | 4 | 4.2 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1 | 10.1021/jm4009373 | |||
| 135399235 | 4134 | 60 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm4009373 | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm4009373 | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm4009373 | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/jm4009373 | |||
| 2745687 | 933 | 31 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/jm4009373 | |||
| 9741 | 933 | 31 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/jm4009373 | |||
| CHEMBL1708510 | 933 | 31 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 10.1021/jm4009373 | |||
| 73294509 | 92218 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 353 | 4 | 2 | 5 | 3.1 | COc1ccc(C(=O)Nc2cc(C)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2425822 | 92218 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 353 | 4 | 2 | 5 | 3.1 | COc1ccc(C(=O)Nc2cc(C)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71735033 | 90836 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 354 | 4 | 2 | 6 | 2.7 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1cccc([N+](=O)[O-])c1 | 10.1021/jm4009373 | |||
| CHEMBL2392154 | 90836 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 354 | 4 | 2 | 6 | 2.7 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1cccc([N+](=O)[O-])c1 | 10.1021/jm4009373 | |||
| 71735032 | 90835 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 323 | 3 | 2 | 4 | 3.1 | Cc1cccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm4009373 | |||
| CHEMBL2392153 | 90835 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 323 | 3 | 2 | 4 | 3.1 | Cc1cccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)c1 | 10.1021/jm4009373 | |||
| 71733843 | 90856 | 6 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392174 | 90856 | 6 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2425818 | 90856 | 6 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 417 | 4 | 2 | 5 | 3.5 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71733744 | 90849 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 3.4 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392167 | 90849 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 3.4 | COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 2295463 | 92221 | 34 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 279 | 4 | 2 | 5 | 1.5 | O=C(O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2425825 | 92221 | 34 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 279 | 4 | 2 | 5 | 1.5 | O=C(O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 | 10.1021/jm4009373 | |||
| 137662152 | 159391 | 9 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 353 | 2 | 2 | 8 | 1.3 | O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL4100677 | 159391 | 9 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 353 | 2 | 2 | 8 | 1.3 | O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 | 10.1021/acsmedchemlett.2c00461 | |||
| 71733939 | 90864 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)nc1 | 10.1021/jm4009373 | |||
| CHEMBL2392182 | 90864 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 418 | 4 | 2 | 6 | 2.9 | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)nc1 | 10.1021/jm4009373 | |||
| 326869 | 112811 | 5 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 314 | 2 | 4 | 4 | 1.1 | Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL3306990 | 112811 | 5 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 314 | 2 | 4 | 4 | 1.1 | Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 | 10.1021/acsmedchemlett.2c00461 | |||
| 135399235 | 4134 | 60 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acsmedchemlett.2c00461 | |||
| 2919 | 4134 | 60 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acsmedchemlett.2c00461 | |||
| 5722 | 4134 | 60 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL28079 | 4134 | 60 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 1.4 | CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2 | 10.1021/acsmedchemlett.2c00461 | |||
| 12138435 | 68057 | 29 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 1 | 0 | 4 | 4.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 | 10.1021/jm4009373 | |||
| CHEMBL1914576 | 68057 | 29 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 1 | 0 | 4 | 4.4 | CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 | 10.1021/jm4009373 | |||
| 71734942 | 90828 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 261 | 3 | 2 | 4 | 1.8 | CCC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm4009373 | |||
| CHEMBL2392146 | 90828 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 261 | 3 | 2 | 4 | 1.8 | CCC(=O)Nc1cccc2c(=O)cc(C(=O)O)oc12 | 10.1021/jm4009373 | |||
| 71735030 | 90834 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 3 | 2 | 5 | 3.3 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2n1 | 10.1021/jm4009373 | |||
| CHEMBL2392152 | 90834 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 3 | 2 | 5 | 3.3 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2n1 | 10.1021/jm4009373 | |||
| 71735034 | 90837 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 3 | 2 | 4 | 3.1 | Cc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392155 | 90837 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 3 | 2 | 4 | 3.1 | Cc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71734946 | 90833 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 359 | 3 | 2 | 4 | 3.9 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1 | 10.1021/jm4009373 | |||
| CHEMBL2392151 | 90833 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 359 | 3 | 2 | 4 | 3.9 | O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1 | 10.1021/jm4009373 | |||
| 2286812 | 29466 | 35 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 482 | 8 | 3 | 6 | 4.7 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | 10.1021/jm4009373 | |||
| CHEMBL1384502 | 29466 | 35 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 482 | 8 | 3 | 6 | 4.7 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | 10.1021/jm4009373 | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 71733938 | 90863 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 367 | 6 | 2 | 5 | 3.5 | CCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392181 | 90863 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 367 | 6 | 2 | 5 | 3.5 | CCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 71733745 | 90850 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm4009373 | |||
| CHEMBL2392168 | 90850 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 3 | 2 | 4 | 3.5 | O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 | 10.1021/jm4009373 | |||
| 2920 | 2997 | 103 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 54742459 | 2997 | 103 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 8546 | 2997 | 103 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| CHEMBL177880 | 2997 | 103 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 388 | 4 | 4 | 4 | 4.4 | OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O | 10.1021/acsmedchemlett.2c00461 | |||
| 71733844 | 90857 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.9 | CCOc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| CHEMBL2392175 | 90857 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.9 | CCOc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 | 10.1021/jm4009373 | |||
| 92934 | 169657 | 95 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 280 | 2 | 2 | 6 | 1.9 | O=C(O)[C@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | 10.1021/jm4009373 | |||
| CHEMBL443738 | 169657 | 95 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 280 | 2 | 2 | 6 | 1.9 | O=C(O)[C@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | 10.1021/jm4009373 | |||
| 4488 | 203021 | 110 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL63323 | 203021 | 110 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 282 | 3 | 2 | 3 | 3.5 | O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 | None | |||
| 118985385 | 1701 | 111 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | None | |||
| 1258 | 1701 | 111 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | None | |||
| 3440 | 1701 | 111 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | None | |||
| 4839 | 1701 | 111 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | None | |||
| CHEMBL35 | 1701 | 111 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | None | |||
| DB00695 | 1701 | 111 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 330 | 5 | 3 | 5 | 1.9 | OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N | None | |||
| 2882 | 1208 | 62 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | |||
| 741 | 1208 | 62 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | |||
| 7608 | 1208 | 62 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | |||
| CHEMBL428880 | 1208 | 62 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | |||
| DB01003 | 1208 | 62 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 468 | 8 | 3 | 9 | 2.1 | OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O | None | |||
| 54676038 | 38723 | 77 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 336 | 2 | 2 | 6 | 2.9 | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O | None | |||
| CHEMBL1466 | 38723 | 77 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 336 | 2 | 2 | 6 | 2.9 | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O | None | |||
| 2745687 | 933 | 31 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 20826425 | |||
| 9741 | 933 | 31 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 20826425 | |||
| CHEMBL1708510 | 933 | 31 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 20826425 | |||
| 2745687 | 933 | 31 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 23888932 | |||
| 9741 | 933 | 31 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 23888932 | |||
| CHEMBL1708510 | 933 | 31 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 395 | 4 | 2 | 6 | 2.5 | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F | 23888932 | |||
| 73294508 | 1140 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 453 | 4 | 2 | 5 | 3.8 | COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O | 23888932 | |||
| 9742 | 1140 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 453 | 4 | 2 | 5 | 3.8 | COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O | 23888932 | |||
| CHEMBL2425821 | 1140 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 453 | 4 | 2 | 5 | 3.8 | COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O | 23888932 | |||