Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50331238'   

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))	BDBM50331238 (4-(benzyloxy)-1-(1-((4,5-dihydro-1H-imidazol-2-yl)...) Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23| Show InChI InChI=1S/C23H21N5O2/c29-23-13-20(30-16-17-4-2-1-3-5-17)8-11-27(23)19-6-7-21-18(12-19)14-26-28(21)15-22-24-9-10-25-22/h1-8,11-14H,9-10,15-16H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 20: 7015-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.039 BindingDB Entry DOI: 10.7270/Q2P55NSM
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