Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50273787'   

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))	BDBM50273787 (6,8-Dimethyl-N-(naphthalen-2-yl)-2-(pyridin-2-yl)q...) Show SMILES Cc1cc(C)c2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1ccccn1 Show InChI InChI=1S/C27H21N3O/c1-17-13-18(2)26-22(14-17)23(16-25(30-26)24-9-5-6-12-28-24)27(31)29-21-11-10-19-7-3-4-8-20(19)15-21/h3-16H,1-2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of reconstituted CYP2C9 (unknown origin)				J Med Chem 51: 8000-11 (2008) Article DOI: 10.1021/jm8011257 BindingDB Entry DOI: 10.7270/Q2K937CZ
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