Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50295541'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50295541 (4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-oxadiazol-5-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1 Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)19-9-7-17(8-10-19)22-26-23(32-27-22)18-11-13-28(14-12-18)24(29)25-21-15-20(21)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 52: 5009-12 (2010) Article DOI: 10.1021/jm900725r BindingDB Entry DOI: 10.7270/Q2TX3G8W
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