Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50273446'   

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))	BDBM50273446 (CHEMBL513115 | N-Phenyl-2-(pyridin-2-yl)quinoline-...) Show SMILES O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C21H15N3O/c25-21(23-15-8-2-1-3-9-15)17-14-20(19-12-6-7-13-22-19)24-18-11-5-4-10-16(17)18/h1-14H,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.47E+3	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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