Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50273392'   

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))	BDBM50273392 (CHEMBL456998 | N-(Naphthalen-2-yl)-2-(pyridin-2-yl...) Show SMILES O=C(Nc1ccc2ccccc2c1)c1cc(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C25H17N3O/c29-25(27-19-13-12-17-7-1-2-8-18(17)15-19)21-16-24(23-11-5-6-14-26-23)28-22-10-4-3-9-20(21)22/h1-16H,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+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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