Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50151845'   

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))	BDBM50151845 (CHEMBL3775504) Show SMILES CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)cc1 Show InChI InChI=1S/C23H23N7O3/c1-29(2)21(31)15-6-8-16(9-7-15)33-23-26-20(17-4-3-5-19-18(17)14-24-28-19)25-22(27-23)30-10-12-32-13-11-30/h3-9,14H,10-13H2,1-2H3,(H,24,28)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sphaera Pharma Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				ACS Med Chem Lett 6: 1190-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00322 BindingDB Entry DOI: 10.7270/Q2930W23
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