Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50315069'   

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))	BDBM50315069 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(t...) Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1 Show InChI InChI=1S/C35H44N8O4/c1-23(2)41-15-17-42(18-16-41)33(44)26-5-9-28(10-6-26)37-35(45)36-27-7-3-24(4-8-27)31-38-32(25-13-19-46-20-14-25)40-34(39-31)43-29-11-12-30(43)22-47-21-29/h3-10,23,25,29-30H,11-22H2,1-2H3,(H2,36,37,45)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 2648-53 (2010) Article DOI: 10.1016/j.bmcl.2010.02.031 BindingDB Entry DOI: 10.7270/Q2DZ08GK
					More data for this Ligand-Target Pair