Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50209964'   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50209964 ((3S,4R)-3-butyl-1-(3-methoxy-5-(trifluoromethyl)ph...) Show SMILES CCCC[C@H]1CN(CC[C@H]1N)c1cc(OC)cc(c1)C(F)(F)F Show InChI InChI=1S/C17H25F3N2O/c1-3-4-5-12-11-22(7-6-16(12)21)14-8-13(17(18,19)20)9-15(10-14)23-2/h8-10,12,16H,3-7,11,21H2,1-2H3/t12-,16+/m0/s1	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 17: 2966-70 (2007) Article DOI: 10.1016/j.bmcl.2007.03.072 BindingDB Entry DOI: 10.7270/Q23T9GWP
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