Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50211860'   

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 2C19 (Homo sapiens (Human))	BDBM50211860 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1 Show InChI InChI=1S/C17H16ClF3N4O/c18-11-5-2-6-12(7-11)24-16-23-9-13(14(25-16)17(19,20)21)15(26)22-8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2,(H,22,26)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
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