Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50301852'   

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))	BDBM50301852 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(pyri...) Show SMILES CC1(CC(=O)NCc2ccncc2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C17H24N2O3/c1-16(13-17(22-21-16)7-3-2-4-8-17)11-15(20)19-12-14-5-9-18-10-6-14/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
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