Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50301842'   

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))	BDBM50301842 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(4-ni...) Show SMILES CC1(CC(=O)NCc2ccc(cc2)[N+]([O-])=O)CC2(CCCCC2)OO1 Show InChI InChI=1S/C18H24N2O5/c1-17(13-18(25-24-17)9-3-2-4-10-18)11-16(21)19-12-14-5-7-15(8-6-14)20(22)23/h5-8H,2-4,9-13H2,1H3,(H,19,21)	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	3.20E+3	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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