Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50140528'   

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))	BDBM50140528 (CHEMBL277635 | N-{4-[(S)-1-Amino-2-(3,3-difluoro-p...) Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC(F)(F)C1 |wU:5.8,1.0,wD:2.2,(3.86,-3.65,;3.86,-2.11,;2.53,-1.34,;2.53,.21,;1.2,.98,;-.13,.21,;-.13,-1.34,;1.2,-2.11,;-1.49,1,;-2.82,.23,;-2.82,-1.31,;-4.15,1,;-4.15,2.56,;-5.48,3.33,;-6.83,2.56,;-6.83,1,;-5.48,.23,;-5.48,-1.31,;-7.02,-1.31,;-3.94,-1.31,;-5.48,-2.85,;5.19,-1.34,;5.19,.21,;6.53,-2.11,;7.87,-1.34,;9.01,-2.38,;8.38,-3.76,;9.08,-5.14,;7.54,-5.07,;6.86,-3.62,)| Show InChI InChI=1S/C20H24F5N3O2/c21-19(22)9-10-28(11-19)18(30)16(26)12-5-7-13(8-6-12)27-17(29)14-3-1-2-4-15(14)20(23,24)25/h1-4,12-13,16H,5-11,26H2,(H,27,29)/t12-,13-,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	70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Dipeptidyl-peptidase IV				Bioorg Med Chem Lett 14: 1265-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.040 BindingDB Entry DOI: 10.7270/Q2G73D5Q
					More data for this Ligand-Target Pair