Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50308899'   

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))	BDBM50308899 (CHEMBL605360 | N-[3-(4-Hydroxymethyl-phenylcarbamo...) Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CO)cc1 Show InChI InChI=1S/C24H24N2O5/c1-30-21-11-8-19(13-22(21)31-2)23(28)25-14-17-4-3-5-18(12-17)24(29)26-20-9-6-16(15-27)7-10-20/h3-13,27H,14-15H2,1-2H3,(H,25,28)(H,26,29)	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	>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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