Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50172468'   

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))	BDBM50172468 (1-(4-Benzo[b]thiophen-3-yl-3-fluoro-phenyl)-cyclop...) Show SMILES OC(=O)C1(CC1)c1ccc(-c2csc3ccccc23)c(F)c1 Show InChI InChI=1S/C18H13FO2S/c19-15-9-11(18(7-8-18)17(20)21)5-6-12(15)14-10-22-16-4-2-1-3-13(14)16/h1-6,9-10H,7-8H2,(H,20,21)	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	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells				J Med Chem 48: 5705-20 (2005) Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W
					More data for this Ligand-Target Pair