Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50393562'   

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))	BDBM50393562 (CHEMBL2158302) Show SMILES OCCNC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31| Show InChI InChI=1S/C25H30N6O3/c26-15-20-16-28-23(29-20)24(33)30-22-7-6-19(14-21(22)18-4-2-1-3-5-18)17-8-11-31(12-9-17)25(34)27-10-13-32/h4,6-7,14,16-17,32H,1-3,5,8-13H2,(H,27,34)(H,28,29)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 54: 7860-83 (2011) Article DOI: 10.1021/jm200900q BindingDB Entry DOI: 10.7270/Q2VD70JB
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