Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50334928'   

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))	BDBM50334928 (1-({2,6-Difluoro-4-[3-(trifluoromethyl)-6,7-dihydr...) Show SMILES Fc1cc(cc(F)c1CN1CCCC1=O)-n1nc(c2COCCc12)C(F)(F)F Show InChI InChI=1S/C18H16F5N3O2/c19-13-6-10(7-14(20)11(13)8-25-4-1-2-16(25)27)26-15-3-5-28-9-12(15)17(24-26)18(21,22)23/h6-7H,1-5,8-9H2	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 by fluorescence assay				J Med Chem 54: 78-94 (2011) Article DOI: 10.1021/jm100679e BindingDB Entry DOI: 10.7270/Q21C1XVG
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