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 |
| 10099401 | 107986 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 562 | 15 | 1 | 3 | 6.3 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL295895 | 107986 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 562 | 15 | 1 | 3 | 6.3 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 10120470 | 182239 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 563 | 14 | 2 | 4 | 3.8 | CCCCCNC(=O)CN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL45770 | 182239 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 563 | 14 | 2 | 4 | 3.8 | CCCCCNC(=O)CN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| 44293169 | 189932 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 551 | 14 | 0 | 5 | 5.5 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(COC)C(=O)OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL47953 | 189932 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 551 | 14 | 0 | 5 | 5.5 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(COC)C(=O)OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44293020 | 187010 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 482 | 11 | 0 | 5 | 4.6 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL47500 | 187010 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 482 | 11 | 0 | 5 | 4.6 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 71224515 | 147209 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 557 | 9 | 2 | 5 | 4.5 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccc(F)cc2)CC1 | 10.1021/acsmedchemlett.6b00082 | ||
| CHEMBL3809148 | 147209 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 557 | 9 | 2 | 5 | 4.5 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccc(F)cc2)CC1 | 10.1021/acsmedchemlett.6b00082 | ||
| 44293287 | 194110 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 510 | 13 | 0 | 5 | 5.3 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL49308 | 194110 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 510 | 13 | 0 | 5 | 5.3 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44293019 | 169446 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 464 | 11 | 0 | 3 | 5.6 | CCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(C)c(OC)c(C)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL417003 | 169446 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 464 | 11 | 0 | 3 | 5.6 | CCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(C)c(OC)c(C)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| 53322111 | 64140 | 0 | None | -125 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 482 | 7 | 4 | 8 | 3.4 | C#CCNC(=O)CNc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1 | 10.1021/ml100229v | ||
| CHEMBL1651721 | 64140 | 0 | None | -125 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 482 | 7 | 4 | 8 | 3.4 | C#CCNC(=O)CNc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1 | 10.1021/ml100229v | ||
| 10164519 | 194628 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 510 | 13 | 0 | 5 | 5.3 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL49624 | 194628 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 510 | 13 | 0 | 5 | 5.3 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44292938 | 185744 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 547 | 15 | 0 | 3 | 6.5 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(C)=O)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL47059 | 185744 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 547 | 15 | 0 | 3 | 6.5 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(C)=O)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44292917 | 178451 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 519 | 13 | 0 | 3 | 5.7 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(C)=O)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL44663 | 178451 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 519 | 13 | 0 | 3 | 5.7 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(C)=O)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44292891 | 194504 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 510 | 13 | 0 | 5 | 5.3 | CCCCCCCCN1C(=O)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL49540 | 194504 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 510 | 13 | 0 | 5 | 5.3 | CCCCCCCCN1C(=O)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 10030777 | 174964 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 563 | 15 | 0 | 4 | 6.7 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL433263 | 174964 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 563 | 15 | 0 | 4 | 6.7 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44293324 | 108370 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 482 | 12 | 0 | 5 | 4.6 | CCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL298686 | 108370 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 482 | 12 | 0 | 5 | 4.6 | CCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| 44293289 | 105739 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 496 | 12 | 0 | 5 | 5.0 | CCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL279759 | 105739 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 496 | 12 | 0 | 5 | 5.0 | CCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44292945 | 169541 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 563 | 15 | 2 | 4 | 4.8 | CCCCCCNC(=O)CN1C(=O)C(Cc2ccc(-c3ccc(CN(CCCC)C(=O)NC)cc3)cc2)N(C)C1=O | 10.1016/j.bmcl.2004.01.042 | ||
| CHEMBL417173 | 169541 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 563 | 15 | 2 | 4 | 4.8 | CCCCCCNC(=O)CN1C(=O)C(Cc2ccc(-c3ccc(CN(CCCC)C(=O)NC)cc3)cc2)N(C)C1=O | 10.1016/j.bmcl.2004.01.042 | ||
| 10461880 | 195549 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 645 | 13 | 3 | 4 | 5.4 | CCCCN(Cc1cccc(-c2ccc(C(=O)NC3CCCCN(CC(=O)NCCc4ccc(Cl)cc4)C3=O)cc2)c1)C(=O)NC | 10.1016/j.bmcl.2004.01.042 | ||
| CHEMBL50556 | 195549 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 645 | 13 | 3 | 4 | 5.4 | CCCCN(Cc1cccc(-c2ccc(C(=O)NC3CCCCN(CC(=O)NCCc4ccc(Cl)cc4)C3=O)cc2)c1)C(=O)NC | 10.1016/j.bmcl.2004.01.042 | ||
| 71234037 | 117916 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 531 | 9 | 2 | 7 | 3.7 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCOC3=O)cc2NC(=O)c2ccco2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| CHEMBL3263689 | 117916 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 531 | 9 | 2 | 7 | 3.7 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCOC3=O)cc2NC(=O)c2ccco2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| 10142987 | 108561 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 525 | 13 | 1 | 6 | 3.3 | CCCCCCNC(=O)CN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL300022 | 108561 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 525 | 13 | 1 | 6 | 3.3 | CCCCCCNC(=O)CN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| 44292731 | 190459 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 550 | 14 | 1 | 4 | 5.1 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(COC)C(=O)NC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL48030 | 190459 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 550 | 14 | 1 | 4 | 5.1 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(COC)C(=O)NC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44292995 | 195236 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 468 | 11 | 0 | 5 | 4.2 | CCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL50278 | 195236 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 468 | 11 | 0 | 5 | 4.2 | CCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| 71233908 | 117913 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 515 | 8 | 2 | 6 | 3.5 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCN3CCCC3=O)cc2NC(=O)c2ccco2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| CHEMBL3263683 | 117913 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 515 | 8 | 2 | 6 | 3.5 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCN3CCCC3=O)cc2NC(=O)c2ccco2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| 10030777 | 174964 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 563 | 15 | 0 | 4 | 6.7 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL433263 | 174964 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 563 | 15 | 0 | 4 | 6.7 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 10164519 | 194628 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 510 | 13 | 0 | 5 | 5.3 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL49624 | 194628 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 510 | 13 | 0 | 5 | 5.3 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44293289 | 105739 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 496 | 12 | 0 | 5 | 5.0 | CCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL279759 | 105739 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 496 | 12 | 0 | 5 | 5.0 | CCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44293018 | 186358 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 466 | 12 | 0 | 4 | 4.9 | CCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3ccc(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL47420 | 186358 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 466 | 12 | 0 | 4 | 4.9 | CCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3ccc(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| 44292938 | 185744 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 547 | 15 | 0 | 3 | 6.5 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(C)=O)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL47059 | 185744 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 547 | 15 | 0 | 3 | 6.5 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(C)=O)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 10165009 | 185800 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 521 | 15 | 1 | 4 | 5.8 | CCCCOC(=O)N(CC(=O)NCC1CC1)Cc1ccc(-c2ccccc2CN(CCCC)C(C)=O)cc1 | 10.1016/j.bmcl.2004.01.042 | ||
| CHEMBL47120 | 185800 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 521 | 15 | 1 | 4 | 5.8 | CCCCOC(=O)N(CC(=O)NCC1CC1)Cc1ccc(-c2ccccc2CN(CCCC)C(C)=O)cc1 | 10.1016/j.bmcl.2004.01.042 | ||
| 44255904 | 64158 | 0 | None | -79 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 682 | 17 | 4 | 14 | 3.9 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCN=[N+]=[N-])nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651828 | 64158 | 0 | None | -79 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 682 | 17 | 4 | 14 | 3.9 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCN=[N+]=[N-])nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 10185204 | 183373 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 496 | 13 | 0 | 5 | 5.0 | CCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL45976 | 183373 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 496 | 13 | 0 | 5 | 5.0 | CCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| 2837084 | 77914 | 16 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 308 | 1 | 1 | 2 | 4.1 | CC(=O)N1c2ccc(N)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL195534 | 77914 | 16 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 308 | 1 | 1 | 2 | 4.1 | CC(=O)N1c2ccc(N)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 71234065 | 117914 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 537 | 8 | 3 | 6 | 4.2 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCc3cccc(C(N)=O)c3)cc2NC(=O)c2ccco2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| CHEMBL3263685 | 117914 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 537 | 8 | 3 | 6 | 4.2 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCc3cccc(C(N)=O)c3)cc2NC(=O)c2ccco2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| 44293203 | 191037 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 535 | 13 | 0 | 4 | 5.9 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL48375 | 191037 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 535 | 13 | 0 | 4 | 5.9 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 71450781 | 91113 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 514 | 9 | 2 | 5 | 4.5 | CCOc1cc(CCNC(=O)C[C@H]2S[C@@H](c3ccc(C#Cc4ccccc4)cc3)NC2=O)ccc1OC | 10.1016/j.bmc.2012.03.069 | ||
| CHEMBL2216804 | 91113 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 514 | 9 | 2 | 5 | 4.5 | CCOc1cc(CCNC(=O)C[C@H]2S[C@@H](c3ccc(C#Cc4ccccc4)cc3)NC2=O)ccc1OC | 10.1016/j.bmc.2012.03.069 | ||
| 44580873 | 200101 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 561 | 9 | 2 | 5 | 5.1 | COc1ccc(C2SC(CC(=O)NCCC3=CCc4ccccc43)C(=O)N2c2ccc(C(N)=O)c(Cl)c2)cc1 | 10.1016/j.ejmech.2007.07.017 | ||
| CHEMBL524348 | 200101 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 561 | 9 | 2 | 5 | 5.1 | COc1ccc(C2SC(CC(=O)NCCC3=CCc4ccccc43)C(=O)N2c2ccc(C(N)=O)c(Cl)c2)cc1 | 10.1016/j.ejmech.2007.07.017 | ||
| 44293299 | 182303 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 466 | 12 | 0 | 4 | 4.9 | CCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)cc(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL45782 | 182303 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 466 | 12 | 0 | 4 | 4.9 | CCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)cc(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| 71224679 | 117918 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 559 | 7 | 4 | 8 | 3.4 | Cc1ccccc1N1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H](O)[C@H]3O)cc2NC(=O)c2coc(C3CC3)n2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| CHEMBL3263692 | 117918 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 559 | 7 | 4 | 8 | 3.4 | Cc1ccccc1N1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H](O)[C@H]3O)cc2NC(=O)c2coc(C3CC3)n2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| 44293203 | 191037 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 535 | 13 | 0 | 4 | 5.9 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL48375 | 191037 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 535 | 13 | 0 | 4 | 5.9 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44292920 | 108068 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 510 | 13 | 0 | 5 | 5.3 | CCCCCCCCN1C(=O)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL296449 | 108068 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 510 | 13 | 0 | 5 | 5.3 | CCCCCCCCN1C(=O)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44293189 | 194607 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 534 | 13 | 1 | 3 | 5.5 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL49608 | 194607 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 534 | 13 | 1 | 3 | 5.5 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 10099401 | 107986 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 562 | 15 | 1 | 3 | 6.3 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL295895 | 107986 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 562 | 15 | 1 | 3 | 6.3 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44293203 | 191037 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 535 | 13 | 0 | 4 | 5.9 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL48375 | 191037 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 535 | 13 | 0 | 4 | 5.9 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)OC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 71450781 | 91113 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 514 | 9 | 2 | 5 | 4.5 | CCOc1cc(CCNC(=O)C[C@H]2S[C@@H](c3ccc(C#Cc4ccccc4)cc3)NC2=O)ccc1OC | 10.1016/j.bmc.2012.03.069 | ||
| CHEMBL2216804 | 91113 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 514 | 9 | 2 | 5 | 4.5 | CCOc1cc(CCNC(=O)C[C@H]2S[C@@H](c3ccc(C#Cc4ccccc4)cc3)NC2=O)ccc1OC | 10.1016/j.bmc.2012.03.069 | ||
| 71234040 | 117915 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 516 | 9 | 2 | 6 | 4.7 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCC3CCOC3)cc2NC(=O)c2ccco2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| CHEMBL3263687 | 117915 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 516 | 9 | 2 | 6 | 4.7 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCC3CCOC3)cc2NC(=O)c2ccco2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| 71234266 | 117917 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 555 | 10 | 3 | 9 | 3.3 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCc3nn[nH]n3)cc2NC(=O)c2coc(C3CC3)n2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| CHEMBL3263691 | 117917 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 555 | 10 | 3 | 9 | 3.3 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCc3nn[nH]n3)cc2NC(=O)c2coc(C3CC3)n2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| 44293189 | 194607 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 534 | 13 | 1 | 3 | 5.5 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL49608 | 194607 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 534 | 13 | 1 | 3 | 5.5 | CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44293172 | 183723 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 535 | 14 | 0 | 4 | 5.3 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(COC)C(C)=O)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL46216 | 183723 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 535 | 14 | 0 | 4 | 5.3 | CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(COC)C(C)=O)c3)cc2)N(C)C(=O)[C@@H]1C | 10.1016/j.bmcl.2004.01.043 | ||
| 44292698 | 189046 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 510 | 14 | 0 | 5 | 5.3 | CCCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL47838 | 189046 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 510 | 14 | 0 | 5 | 5.3 | CCCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| 44293300 | 174897 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 454 | 10 | 0 | 5 | 3.8 | CCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| CHEMBL432883 | 174897 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 454 | 10 | 0 | 5 | 3.8 | CCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O | 10.1016/j.bmcl.2004.01.043 | ||
| 71233981 | 117912 | 0 | None | - | 1 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 570 | 10 | 2 | 7 | 4.2 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| CHEMBL3263667 | 117912 | 0 | None | - | 1 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 570 | 10 | 2 | 7 | 4.2 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)CC1 | 10.1016/j.bmcl.2014.03.018 | ||
| 11260332 | 75454 | 0 | None | 51 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 488 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL192135 | 75454 | 0 | None | 51 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 488 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 53324743 | 64156 | 0 | None | -18 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 1313 | 30 | 5 | 21 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651826 | 64156 | 0 | None | -18 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 1313 | 30 | 5 | 21 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 11190706 | 142055 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 475 | 5 | 0 | 2 | 7.8 | CC(=O)N1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL372649 | 142055 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 475 | 5 | 0 | 2 | 7.8 | CC(=O)N1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 53324742 | 64155 | 0 | None | -26 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 1269 | 27 | 5 | 20 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651825 | 64155 | 0 | None | -26 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 1269 | 27 | 5 | 20 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 11352881 | 173031 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 518 | 5 | 1 | 3 | 7.5 | COc1ccccc1C1(C)CC(C)(C)N(C(C)=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21 | 10.1021/jm049676l | ||
| CHEMBL426824 | 173031 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 518 | 5 | 1 | 3 | 7.5 | COc1ccccc1C1(C)CC(C)(C)N(C(C)=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21 | 10.1021/jm049676l | ||
| 11442786 | 77865 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 470 | 6 | 1 | 3 | 5.5 | COc1ccc(CCNC(=O)c2ccc3c(c2)C(C)(c2ccccc2)CC(C)(C)N3C(C)=O)cc1 | 10.1021/jm049676l | ||
| CHEMBL195321 | 77865 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 470 | 6 | 1 | 3 | 5.5 | COc1ccc(CCNC(=O)c2ccc3c(c2)C(C)(c2ccccc2)CC(C)(C)N3C(C)=O)cc1 | 10.1021/jm049676l | ||
| 11156384 | 130834 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 504 | 4 | 2 | 3 | 7.2 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccc(O)cc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL363164 | 130834 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 504 | 4 | 2 | 3 | 7.2 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccc(O)cc2)CC1(C)C | 10.1021/jm049676l | ||
| 11306348 | 77897 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 488 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL195469 | 77897 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 488 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 11258158 | 129903 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 402 | 3 | 1 | 3 | 5.4 | CC(=O)N1c2ccc(NC(=O)c3ccco3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL361167 | 129903 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 402 | 3 | 1 | 3 | 5.4 | CC(=O)N1c2ccc(NC(=O)c3ccco3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 11260332 | 75454 | 0 | None | 51 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 488 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL192135 | 75454 | 0 | None | 51 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 488 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 11431176 | 140745 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 462 | 5 | 1 | 3 | 5.5 | CC(=O)N1c2ccc(NS(=O)(=O)Cc3ccccc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL371595 | 140745 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 462 | 5 | 1 | 3 | 5.5 | CC(=O)N1c2ccc(NS(=O)(=O)Cc3ccccc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 11203161 | 76099 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 518 | 5 | 1 | 3 | 7.5 | COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc2c1N(C(C)=O)C(C)(C)CC2(C)c1ccccc1 | 10.1021/jm049676l | ||
| CHEMBL192868 | 76099 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 518 | 5 | 1 | 3 | 7.5 | COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc2c1N(C(C)=O)C(C)(C)CC2(C)c1ccccc1 | 10.1021/jm049676l | ||
| 11224637 | 69938 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 3 | 1 | 2 | 6.4 | CC(=O)N1c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL178980 | 69938 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 3 | 1 | 2 | 6.4 | CC(=O)N1c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 53326035 | 64157 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 742 | 16 | 1 | 9 | 8.0 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2[C@@](C)(c2ccc(OCc3cn(CCOCCOCCN=[N+]=[N-])nn3)cc2)CC1(C)C | 10.1021/ml100229v | ||
| CHEMBL1651827 | 64157 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 742 | 16 | 1 | 9 | 8.0 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2[C@@](C)(c2ccc(OCc3cn(CCOCCOCCN=[N+]=[N-])nn3)cc2)CC1(C)C | 10.1021/ml100229v | ||
| 53318154 | 64141 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 542 | 6 | 1 | 3 | 7.5 | C#CCOc1ccc([C@@]2(C)CC(C)(C)N(C(C)=O)c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc32)cc1 | 10.1021/ml100229v | ||
| CHEMBL1651722 | 64141 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 542 | 6 | 1 | 3 | 7.5 | C#CCOc1ccc([C@@]2(C)CC(C)(C)N(C(C)=O)c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc32)cc1 | 10.1021/ml100229v | ||
| 11260332 | 75454 | 0 | None | 51 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 488 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL192135 | 75454 | 0 | None | 51 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 488 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 11396885 | 129864 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 454 | 5 | 1 | 2 | 6.7 | CCCc1ccc(C(=O)Nc2ccc3c(c2)C(C)(c2ccccc2)CC(C)(C)N3C(C)=O)cc1 | 10.1021/jm049676l | ||
| CHEMBL360981 | 129864 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 454 | 5 | 1 | 2 | 6.7 | CCCc1ccc(C(=O)Nc2ccc3c(c2)C(C)(c2ccccc2)CC(C)(C)N3C(C)=O)cc1 | 10.1021/jm049676l | ||
| 11283470 | 175453 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 502 | 4 | 1 | 2 | 7.8 | CC(=O)N1c2cc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL436481 | 175453 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 502 | 4 | 1 | 2 | 7.8 | CC(=O)N1c2cc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 11375523 | 77870 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 502 | 4 | 1 | 2 | 7.8 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccc(C)cc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL195347 | 77870 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 502 | 4 | 1 | 2 | 7.8 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccc(C)cc2)CC1(C)C | 10.1021/jm049676l | ||
| 11443213 | 75781 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 489 | 4 | 0 | 3 | 7.4 | CC(=O)N1c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL192334 | 75781 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 489 | 4 | 0 | 3 | 7.4 | CC(=O)N1c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 11260332 | 75454 | 0 | None | -51 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 488 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL192135 | 75454 | 0 | None | -51 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 488 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 11407702 | 142021 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 427 | 3 | 2 | 2 | 6.2 | CC(=O)N1c2ccc(NC(=O)Nc3ccccc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL372506 | 142021 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 427 | 3 | 2 | 2 | 6.2 | CC(=O)N1c2ccc(NC(=O)Nc3ccccc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 11190814 | 130399 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 480 | 3 | 1 | 2 | 6.8 | CC(=O)N1c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL361847 | 130399 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 480 | 3 | 1 | 2 | 6.8 | CC(=O)N1c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 11373573 | 70136 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 422 | 4 | 1 | 3 | 5.3 | CC(=O)N1c2ccc(NC(=O)COC(C)(C)C)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL179505 | 70136 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 422 | 4 | 1 | 3 | 5.3 | CC(=O)N1c2ccc(NC(=O)COC(C)(C)C)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 11283209 | 133662 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 488 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NC(=O)c3cccc(-c4ccccc4)c3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL365545 | 133662 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 488 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NC(=O)c3cccc(-c4ccccc4)c3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| 53320758 | 64154 | 0 | None | -21 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 1225 | 24 | 5 | 19 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651824 | 64154 | 0 | None | -21 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 1225 | 24 | 5 | 19 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 11224817 | 77399 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 454 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NCc3ccc(C(C)(C)C)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL194996 | 77399 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 454 | 4 | 1 | 2 | 7.4 | CC(=O)N1c2ccc(NCc3ccc(C(C)(C)C)cc3)cc2C(C)(c2ccccc2)CC1(C)C | 10.1021/jm049676l | ||
| CHEMBL2369814 | 216471 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | None | None | None | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||||
| 14557576 | 96150 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 961 | 26 | 12 | 11 | -0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369794 | 96150 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 961 | 26 | 12 | 11 | -0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 3172428 | 55183 | 4 | None | -158 | 2 | Human | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 459 | 7 | 3 | 8 | 1.6 | NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc3c(c2)OCO3)c1N | nan | ||
| CHEMBL1555290 | 55183 | 4 | None | -158 | 2 | Human | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 459 | 7 | 3 | 8 | 1.6 | NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc3c(c2)OCO3)c1N | nan | ||
| 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 |
| 71457922 | 91112 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 653 | 10 | 2 | 6 | 5.8 | COc1ccc(CCNC(=O)C[C@H]2S[C@@H](c3ccc(C#Cc4ccccc4)cc3)N(c3ccc(C(N)=O)c(Cl)c3)C2=O)cc1OC | 10.1016/j.bmc.2012.03.069 | |||
| CHEMBL2216803 | 91112 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 653 | 10 | 2 | 6 | 5.8 | COc1ccc(CCNC(=O)C[C@H]2S[C@@H](c3ccc(C#Cc4ccccc4)cc3)N(c3ccc(C(N)=O)c(Cl)c3)C2=O)cc1OC | 10.1016/j.bmc.2012.03.069 | |||
| 71233981 | 117912 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 570 | 10 | 2 | 7 | 4.2 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)CC1 | 10.1021/acsmedchemlett.6b00082 | |||
| CHEMBL3263667 | 117912 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 570 | 10 | 2 | 7 | 4.2 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)CC1 | 10.1021/acsmedchemlett.6b00082 | |||
| 71234266 | 117917 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 555 | 10 | 3 | 9 | 3.3 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCc3nn[nH]n3)cc2NC(=O)c2coc(C3CC3)n2)CC1 | 10.1021/acsmedchemlett.6b00082 | |||
| CHEMBL3263691 | 117917 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 555 | 10 | 3 | 9 | 3.3 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCc3nn[nH]n3)cc2NC(=O)c2coc(C3CC3)n2)CC1 | 10.1021/acsmedchemlett.6b00082 | |||
| 71224515 | 147209 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 557 | 9 | 2 | 5 | 4.5 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccc(F)cc2)CC1 | 10.1021/acsmedchemlett.6b00082 | |||
| CHEMBL3809148 | 147209 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 557 | 9 | 2 | 5 | 4.5 | Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccc(F)cc2)CC1 | 10.1021/acsmedchemlett.6b00082 | |||
| CHEMBL5268829 | 200359 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 410 | 1 | 1 | 5 | 4.4 | CC(=O)N1c2cnc(NC(=O)OC(C)(C)C)nc2C2(CCC(F)(F)CC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5285143 | 201060 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.6 | CC(=O)N1c2cnc(NC(=O)OCC(C)C)cc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5285769 | 201093 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 407 | 3 | 1 | 4 | 5.2 | CC(=O)N1c2cnc(NC(=O)OCc3ccccc3)cc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5288869 | 201224 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 374 | 3 | 1 | 5 | 4.0 | CC(=O)N1c2cnc(NC(=O)OCC(C)C)nc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5267037 | 200285 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 439 | 4 | 1 | 3 | 5.7 | CC(=O)N1c2ncc(NC(=O)CCc3cccc(Cl)c3)cc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5267043 | 200287 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 476 | 3 | 1 | 5 | 5.0 | CC(=O)N1c2cnc(NC(=O)OCC3(C(F)(F)F)CC3)nc2C2(CCC(F)(F)CC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5281228 | 200887 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 480 | 5 | 1 | 2 | 6.3 | CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)CCc3cccc(C(F)(F)F)c3)ccc21 | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5270771 | 200429 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 478 | 3 | 1 | 5 | 5.5 | CC(=O)N1c2cnc(NC(=O)OCc3cccc(Cl)c3)nc2C2(CCC(F)(F)CC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5286556 | 201130 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 438 | 2 | 1 | 5 | 5.1 | CC(=O)N1c2cnc(NC(=O)O[C@H](C)C(C)(C)C)nc2C2(CCC(F)(F)CC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5270266 | 200406 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 408 | 3 | 1 | 5 | 4.6 | CC(=O)N1c2cnc(NC(=O)OCc3ccccc3)nc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5271120 | 200449 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 386 | 2 | 1 | 3 | 5.6 | CC(=O)N1c2ccc(NC(=O)OCC(C)(C)C)cc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5290721 | 201288 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 438 | 2 | 1 | 5 | 5.1 | CC(=O)N1c2cnc(NC(=O)O[C@@H](C)C(C)(C)C)nc2C2(CCC(F)(F)CC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5283477 | 200990 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 440 | 3 | 1 | 5 | 4.7 | CC(=O)N1c2cnc(NC(=O)OCC3(C(F)(F)F)CC3)nc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5273361 | 200538 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 424 | 4 | 1 | 2 | 5.9 | CC(=O)N1c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2C2(CCCCC2)C1C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5275619 | 200645 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 4.4 | CC(=O)N1c2cnc(NC(=O)OCC(C)(C)C)nc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5287707 | 201169 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 476 | 4 | 1 | 4 | 5.3 | CC(=O)N1c2cnc(NC(=O)CCc3cccc(Cl)c3)nc2C2(CCC(F)(F)CC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5280508 | 200851 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 438 | 4 | 1 | 2 | 6.3 | CC(=O)N1c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5279687 | 200815 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 440 | 4 | 1 | 4 | 5.0 | CC(=O)N1c2cnc(NC(=O)CCc3cccc(Cl)c3)nc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5268512 | 200347 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 387 | 2 | 1 | 4 | 5.0 | CC(=O)N1c2ncc(NC(=O)OCC(C)(C)C)cc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5267166 | 200289 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 440 | 3 | 1 | 3 | 6.4 | CC(=O)N1c2ccc(NC(=O)OCc3cccc(Cl)c3)cc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5275140 | 200619 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 3 | 1 | 5 | 5.1 | CC(=O)N1c2cnc(NC(=O)OC(C)(C)C(C)C)nc2C2(CCC(F)(F)CC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5285685 | 201087 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 5.2 | CC(=O)N1c2cnc(NC(=O)OCc3cccc(Cl)c3)nc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| 132072838 | 188776 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 565 | 4 | 2 | 6 | 5.1 | COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN(C#N)CCc3c([nH]c4ccccc34)[C@H](OCc3ccc(Br)cc3)C[C@@H]21 | 10.1016/j.bmc.2020.115546 | |||
| CHEMBL4780505 | 188776 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 565 | 4 | 2 | 6 | 5.1 | COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN(C#N)CCc3c([nH]c4ccccc34)[C@H](OCc3ccc(Br)cc3)C[C@@H]21 | 10.1016/j.bmc.2020.115546 | |||
| CHEMBL5288635 | 201215 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 387 | 2 | 1 | 4 | 5.0 | CC(=O)N1c2ccc(NC(=O)OCC(C)(C)C)nc2C2(CCCCC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| CHEMBL5275472 | 200635 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 424 | 2 | 1 | 5 | 4.7 | CC(=O)N1c2cnc(NC(=O)OCC(C)(C)C)nc2C2(CCC(F)(F)CC2)C1(C)C | 10.1016/j.bmc.2023.117258 | |||
| 1158 | 8477 | 0 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 8188681 | |||||