Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50158461'   

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))	BDBM50158461 ((2,6-dichloropyridin-4-yl)(2-ethylbenzofuran-3-yl)...) Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Cl)nc(Cl)c1 Show InChI InChI=1S/C16H11Cl2NO2/c1-2-11-15(10-5-3-4-6-12(10)21-11)16(20)9-7-13(17)19-14(18)8-9/h3-8H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 47: 6768-76 (2004) Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153
					More data for this Ligand-Target Pair