Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50254759'   

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))	BDBM50254759 ((+/-)-5-amino-N-(2-((2,6-difluoro-N-(2-fluoroethyl...) Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCF)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H20F7N5O3/c24-8-9-34(21(37)18-16(26)2-1-3-17(18)27)12-22(38,23(28,29)30)11-32-20(36)15-10-33-35(19(15)31)14-6-4-13(25)5-7-14/h1-7,10,38H,8-9,11-12,31H2,(H,32,36)	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	8.00E+3	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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