Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338445'   

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))	BDBM50338445 (CHEMBL1682979 | trans-4-amino-N-(4-((R)-1-amino-2-...) Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(N)cc1 |r,wU:8.9,2.1,wD:5.4,(20.29,-13.03,;20.29,-11.49,;18.96,-10.71,;17.62,-11.48,;16.29,-10.71,;16.3,-9.18,;17.62,-8.4,;18.96,-9.17,;14.96,-8.41,;14.96,-6.87,;13.63,-9.18,;12.3,-8.41,;12.29,-6.86,;10.96,-6.1,;10.95,-4.56,;9.63,-6.87,;9.62,-8.41,;10.96,-9.18,;10.96,-10.72,;21.62,-10.72,;20.84,-9.38,;22.38,-9.38,;22.95,-11.49,;22.95,-13.02,;24.27,-13.79,;25.6,-13.03,;26.94,-13.8,;25.6,-11.48,;24.27,-10.72,)| Show InChI InChI=1S/C21H27F2N3O2S/c1-26(29(27,28)19-9-5-17(24)6-10-19)18-7-2-14(3-8-18)21(25)13-15-12-16(22)4-11-20(15)23/h4-6,9-12,14,18,21H,2-3,7-8,13,24-25H2,1H3/t14-,18-,21-/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	140	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