Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50301847'   

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))	BDBM50301847 (CHEMBL565360 | N-(2-(2-(hydroxymethyl)phenylthio)b...) Show SMILES CC1(CC(=O)NCc2ccccc2Sc2ccccc2CO)CC2(CCCCC2)OO1 Show InChI InChI=1S/C25H31NO4S/c1-24(18-25(30-29-24)13-7-2-8-14-25)15-23(28)26-16-19-9-3-5-11-21(19)31-22-12-6-4-10-20(22)17-27/h3-6,9-12,27H,2,7-8,13-18H2,1H3,(H,26,28)	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
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