Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50294701'   

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))	BDBM50294701 (4-((2-chlorobenzyl)(1-(5-methyl-1,3,4-oxadiazol-2-...) Show SMILES CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnc(C)o1 Show InChI InChI=1S/C19H16Cl2N4O/c1-12(19-24-23-13(2)26-19)25(11-15-5-3-4-6-17(15)20)16-8-7-14(10-22)18(21)9-16/h3-9,12H,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	91	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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