Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50294708'   

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))	BDBM50294708 (4-((2-chlorobenzyl)(1-(1-isopropyl-1H-tetrazol-5-y...) Show SMILES CC(C)n1nnnc1C(C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C20H20Cl2N6/c1-13(2)28-20(24-25-26-28)14(3)27(12-16-6-4-5-7-18(16)21)17-9-8-15(11-23)19(22)10-17/h4-10,13-14H,12H2,1-3H3	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	80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 19: 2637-41 (2009) Article DOI: 10.1016/j.bmcl.2009.03.146 BindingDB Entry DOI: 10.7270/Q2FX79GM
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