Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50435776'   

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))	BDBM50435776 (CHEMBL2393164) Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CCC2(C1)CCNCC2 Show InChI InChI=1S/C21H27N5O3S/c27-20(24-15-17-2-1-10-23-14-17)25-18-3-5-19(6-4-18)30(28,29)26-13-9-21(16-26)7-11-22-12-8-21/h1-6,10,14,22H,7-9,11-13,15-16H2,(H2,24,25,27)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 30 mins				Bioorg Med Chem Lett 23: 3531-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.040 BindingDB Entry DOI: 10.7270/Q2DJ5H1D
					More data for this Ligand-Target Pair