Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50254760'   

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))	BDBM50254760 (5-amino-N-(2-((2,6-difluoro-N-(2-hydroxyethyl)benz...) Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H21F6N5O4/c24-13-4-6-14(7-5-13)34-19(30)15(10-32-34)20(36)31-11-22(38,23(27,28)29)12-33(8-9-35)21(37)18-16(25)2-1-3-17(18)26/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36)	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	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
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