Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50271507'   

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))	BDBM50271507 (2-(3-(2-(2-chloro-4-hydroxyphenyl)thiazol-4-yl)pro...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1csc(n1)-c1ccc(O)cc1Cl Show InChI InChI=1S/C19H15ClN2O4S/c20-15-9-12(23)6-7-13(15)18-21-11(10-27-18)5-8-17(24)22-16-4-2-1-3-14(16)19(25)26/h1-4,6-7,9-10,23H,5,8H2,(H,22,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 18: 3163-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.071 BindingDB Entry DOI: 10.7270/Q2FJ2GJW
					More data for this Ligand-Target Pair