Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50355392'   

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))	BDBM50355392 (CHEMBL1834658) Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 using MFC as substrate				J Med Chem 54: 7066-83 (2011) Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1
					More data for this Ligand-Target Pair