Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338449'   

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))	BDBM50338449 (CHEMBL1682983 | trans-N-(4-((R)-1-amino-2-(2,5-dif...) Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1F |r,wU:8.9,2.1,wD:5.4,(43.28,-22.27,;43.28,-20.73,;41.95,-19.95,;40.61,-20.72,;39.28,-19.95,;39.29,-18.42,;40.61,-17.64,;41.95,-18.41,;37.95,-17.65,;37.95,-16.11,;36.62,-18.42,;35.29,-17.65,;35.28,-16.1,;33.95,-15.34,;33.94,-13.8,;32.62,-16.11,;32.62,-17.65,;33.95,-18.42,;33.95,-19.96,;44.62,-19.96,;43.84,-18.62,;45.38,-18.62,;45.94,-20.73,;45.94,-22.26,;47.26,-23.03,;48.59,-22.27,;49.93,-23.04,;48.59,-20.72,;47.26,-19.96,;47.26,-18.42,)| Show InChI InChI=1S/C21H24F4N2O2S/c1-27(30(28,29)21-9-5-16(23)12-19(21)25)17-6-2-13(3-7-17)20(26)11-14-10-15(22)4-8-18(14)24/h4-5,8-10,12-13,17,20H,2-3,6-7,11,26H2,1H3/t13-,17-,20-/m1/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	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 21: 1880-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.060 BindingDB Entry DOI: 10.7270/Q2SX6DJG
					More data for this Ligand-Target Pair