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 |
145985766 | 172473 | 0 | None | -1862 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 504 | 6 | 2 | 6 | 4.5 | NC(=O)c1ccc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)cn1 | 10.1016/j.bmcl.2018.07.042 | ||
CHEMBL4245355 | 172473 | 0 | None | -1862 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 504 | 6 | 2 | 6 | 4.5 | NC(=O)c1ccc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)cn1 | 10.1016/j.bmcl.2018.07.042 | ||
134817249 | 172606 | 16 | None | -20892 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 504 | 6 | 2 | 6 | 4.5 | NC(=O)c1cc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)ccn1 | 10.1016/j.bmcl.2018.07.042 | ||
CHEMBL4248604 | 172606 | 16 | None | -20892 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 504 | 6 | 2 | 6 | 4.5 | NC(=O)c1cc(-c2ccc(S(=O)(=O)[C@H]3CC[C@H](Nc4ccc(C(F)(F)F)cn4)CC3)cc2)ccn1 | 10.1016/j.bmcl.2018.07.042 | ||
8652 | 7632 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 16904643 | ||||
810 | 7622 | 0 | None | -2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 16904643 | ||||
810 | 7622 | 0 | None | -2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 9153236 | ||||
810 | 7622 | 0 | None | -2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 9507024 | ||||
811 | 7630 | 0 | None | 12 | 2 | Human | 9.3 | pIC50 | = | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 9507024 |
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 |
183790 | 10514 | 11 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | ||
783 | 10514 | 11 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | ||
CHEMBL1178786 | 10514 | 11 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | ||
11285792 | 7666 | 34 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
68533031 | 7666 | 34 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
801 | 7666 | 34 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
CHEMBL2110727 | 7666 | 34 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
DB11758 | 7666 | 34 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
810 | 7622 | 0 | None | 39 | 3 | Human | 10.0 | pKd | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 10512740 | ||||
8652 | 7632 | 0 | None | - | 1 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 10512740 |