Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
10099401 | 100739 | 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 | 100739 | 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 | 174887 | 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 | 174887 | 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 | 182571 | 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 | 182571 | 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 | 179651 | 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 | 179651 | 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 | 139901 | 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 | 139901 | 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 | 186748 | 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 | 186748 | 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 | 162117 | 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 | 162117 | 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 | 57068 | 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 | 57068 | 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 | 187266 | 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 | 187266 | 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 | 178387 | 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 | 178387 | 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 | 171106 | 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 | 171106 | 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 | 187142 | 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 | 187142 | 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 | ||
10120470 | 174887 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | 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.2004.01.042 | ||
CHEMBL45770 | 174887 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | 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.2004.01.042 | ||
10030777 | 167622 | 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 | 167622 | 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 | 101122 | 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 | 101122 | 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 | 98506 | 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 | 98506 | 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 | 162212 | 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 | 162212 | 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 | 188184 | 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 | 188184 | 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 | 110651 | 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 | 110651 | 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 | 101314 | 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 | 101314 | 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 | 183098 | 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 | 183098 | 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 | ||
10142987 | 101314 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | 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.2004.01.042 | ||
CHEMBL300022 | 101314 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | 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.2004.01.042 | ||
44292995 | 187873 | 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 | 187873 | 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 | 110648 | 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 | 110648 | 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 | 167622 | 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 | 167622 | 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 | 187266 | 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 | 187266 | 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 | 98506 | 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 | 98506 | 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 | 178999 | 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 | 178999 | 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 | 178387 | 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 | 178387 | 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 | 178443 | 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 | 178443 | 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 | 57086 | 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 | 57086 | 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 | 176020 | 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 | 176020 | 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 | 70795 | 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 | 70795 | 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 | 110649 | 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 | 110649 | 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 | 183676 | 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 | 183676 | 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 | 83921 | 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 | 83921 | 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 | 192719 | 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 | 192719 | 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 | 174951 | 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 | 174951 | 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 | 110653 | 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 | 110653 | 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 | 183676 | 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 | 183676 | 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 | 100821 | 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 | 100821 | 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 | 187245 | 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 | 187245 | 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 | 100739 | 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 | 100739 | 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 | 183676 | 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 | 183676 | 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 | 83921 | 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 | 83921 | 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 | 110650 | 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 | 110650 | 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 | 110652 | 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 | 110652 | 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 | 187245 | 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 | 187245 | 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 | 176370 | 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 | 176370 | 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 | 181685 | 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 | 181685 | 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 | 167555 | 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 | 167555 | 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 | 110647 | 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 | 110647 | 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 | 68337 | 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 | 68337 | 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 | 57084 | 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 | 57084 | 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 | 134754 | 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 | 134754 | 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 | 57083 | 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 | 57083 | 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 | 165699 | 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 | 165699 | 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 | 70746 | 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 | 70746 | 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 | 123538 | 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 | 123538 | 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 | 70778 | 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 | 70778 | 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 | 122609 | 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 | 122609 | 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 | 68337 | 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 | 68337 | 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 | 133444 | 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 | 133444 | 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 | 68982 | 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 | 68982 | 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 | 62834 | 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 | 62834 | 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 | 57085 | 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 | 57085 | 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 | 57069 | 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 | 57069 | 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 | 68337 | 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 | 68337 | 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 | 122570 | 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 | 122570 | 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 | 168109 | 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 | 168109 | 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 | 70751 | 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 | 70751 | 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 | 68664 | 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 | 68664 | 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 | 68337 | 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 | 68337 | 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 | 134720 | 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 | 134720 | 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 | 123104 | 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 | 123104 | 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 | 63032 | 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 | 63032 | 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 | 126363 | 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 | 126363 | 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 | 57082 | 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 | 57082 | 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 | 70280 | 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 | 70280 | 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 | 207947 | 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 | 88945 | 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 | 88945 | 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 | 48145 | 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 | 48145 | 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 | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
71457922 | 83920 | 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 | 83920 | 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 | 110647 | 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 | 110647 | 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 | 110652 | 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 | 110652 | 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 | 139901 | 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 | 139901 | 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 | ||
132072838 | 181415 | 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 | 181415 | 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 | ||
1158 | 1666 | 0 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 8188681 |