Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50354593'   

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))	BDBM50354593 (CHEMBL1834345) Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21| Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18)	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
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Inhibition of CYP 2C19				J Med Chem 54: 7030-54 (2011) Article DOI: 10.1021/jm200466r BindingDB Entry DOI: 10.7270/Q2J103JB
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