BDBM50277676 2-(3-(8-hydroxy-5-methyl-6-oxo-5,6-dihydrophenanthridin-3-yl)propanamido)benzoic acid::CHEMBL485184
SMILES: Cn1c2cc(CCC(=O)Nc3ccccc3C(O)=O)ccc2c2ccc(O)cc2c1=O
InChI Key: InChIKey=OEIQJASFNKOLHW-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50277676 (2-(3-(8-hydroxy-5-methyl-6-oxo-5,6-dihydrophenanth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate | J Med Chem 52: 2587-602 (2009) Article DOI: 10.1021/jm900151e BindingDB Entry DOI: 10.7270/Q2RJ4JDG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human)) | BDBM50277676 (2-(3-(8-hydroxy-5-methyl-6-oxo-5,6-dihydrophenanth...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS binding assay | J Med Chem 52: 2587-602 (2009) Article DOI: 10.1021/jm900151e BindingDB Entry DOI: 10.7270/Q2RJ4JDG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human)) | BDBM50277676 (2-(3-(8-hydroxy-5-methyl-6-oxo-5,6-dihydrophenanth...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]niacin from human GPR109A expressed in CHO cells | J Med Chem 52: 2587-602 (2009) Article DOI: 10.1021/jm900151e BindingDB Entry DOI: 10.7270/Q2RJ4JDG | |||||||||||
More data for this Ligand-Target Pair |