Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338458'   

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))	BDBM50338458 (CHEMBL1683092 | trans-N-(4-((R)-1-amino-2-(2,5-dif...) Show SMILES CCN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1c(C)noc1C |r,wU:9.10,3.2,wD:6.5,(16.93,-43.94,;18.26,-43.17,;18.27,-41.63,;16.93,-40.86,;15.6,-41.63,;14.27,-40.86,;14.28,-39.32,;15.6,-38.54,;16.94,-39.32,;12.94,-38.55,;12.94,-37.01,;11.61,-39.33,;10.27,-38.56,;10.27,-37.01,;8.93,-36.24,;8.93,-34.7,;7.6,-37.01,;7.6,-38.56,;8.94,-39.33,;8.94,-40.87,;19.6,-40.87,;18.82,-39.53,;20.36,-39.53,;20.93,-41.63,;22.34,-41.01,;22.66,-39.51,;23.37,-42.15,;22.6,-43.48,;21.1,-43.16,;19.95,-44.19,)| Show InChI InChI=1S/C21H29F2N3O3S/c1-4-26(30(27,28)21-13(2)25-29-14(21)3)18-8-5-15(6-9-18)20(24)12-16-11-17(22)7-10-19(16)23/h7,10-11,15,18,20H,4-6,8-9,12,24H2,1-3H3/t15-,18-,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	38	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