Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50294696'   

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))	BDBM50294696 (4-((2-chlorobenzyl)(1-(2-methylthiazol-4-yl)ethyl)...) Show SMILES CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1csc(C)n1 Show InChI InChI=1S/C20H17Cl2N3S/c1-13(20-12-26-14(2)24-20)25(11-16-5-3-4-6-18(16)21)17-8-7-15(10-23)19(22)9-17/h3-9,12-13H,11H2,1-2H3	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	67	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
					More data for this Ligand-Target Pair