Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50335962'   

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))	BDBM50335962 (CHEMBL1668909 | ethyl 3-(1-(hydroxyimino)-2,3-dihy...) Show SMILES CCOC(=O)c1sc2cnccc2c1Nc1ccc2C(CCc2c1)N=O Show InChI InChI=1S/C19H17N3O3S/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,15,21H,2-3,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, 3200 Walnut Street, Boulder, CO 80301, USA. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 21: 1248-52 (2011) Article DOI: 10.1016/j.bmcl.2010.12.039 BindingDB Entry DOI: 10.7270/Q23X86XG
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