Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50308867'   

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))	BDBM50308867 (CHEMBL604249 | N-[3-(4-Dimethylaminomethyl-phenylc...) Show SMILES COc1ccc(cc1C)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1 Show InChI InChI=1S/C26H29N3O3/c1-18-14-22(10-13-24(18)32-4)25(30)27-16-20-6-5-7-21(15-20)26(31)28-23-11-8-19(9-12-23)17-29(2)3/h5-15H,16-17H2,1-4H3,(H,27,30)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by LCMS/MS assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
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