Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50079578'   

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))	BDBM50079578 (CHEMBL3417504) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Teva Global R&D. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Eur J Med Chem 95: 349-56 (2015) Article DOI: 10.1016/j.ejmech.2015.03.054 BindingDB Entry DOI: 10.7270/Q2C24Z4M
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