Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50209960'   

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))	BDBM50209960 (3-butyl-1-(4-chloro-3-(trifluoromethyl)phenyl)pipe...) Show SMILES CCCCC1CN(CCC1N)c1ccc(Cl)c(c1)C(F)(F)F |w:9.10,4.3| Show InChI InChI=1S/C16H22ClF3N2/c1-2-3-4-11-10-22(8-7-15(11)21)12-5-6-14(17)13(9-12)16(18,19)20/h5-6,9,11,15H,2-4,7-8,10,21H2,1H3	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	2.60E+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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