Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50435758'   

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))	BDBM50435758 (CHEMBL2392693) Show SMILES CNc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)C1CCCCC1 Show InChI InChI=1S/C24H31F3N6O/c1-28-22-30-20(16-7-3-2-4-8-16)31-23(32-22)33-13-11-17(12-14-33)21(34)29-15-18-9-5-6-10-19(18)24(25,26)27/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,29,34)(H,28,30,31,32)	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	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
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