Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50277636'   

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))	BDBM50277636 (2-(3-Benzo[d]imidazo[2,1-b]thiazol-2-yl-propionyla...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cn2c(n1)sc1ccccc21 Show InChI InChI=1S/C19H15N3O3S/c23-17(21-14-6-2-1-5-13(14)18(24)25)10-9-12-11-22-15-7-3-4-8-16(15)26-19(22)20-12/h1-8,11H,9-10H2,(H,21,23)(H,24,25)	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	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate				J Med Chem 52: 2587-602 (2009) Article DOI: 10.1021/jm900151e BindingDB Entry DOI: 10.7270/Q2RJ4JDG
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