Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338443'   

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))	BDBM50338443 (CHEMBL1682977 | 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)c1cccc(c1)C#N |r,wU:8.9,2.1,wD:5.4,(52,-2.08,;52.01,-.54,;50.67,.23,;49.34,-.54,;48.01,.23,;48.02,1.77,;49.34,2.55,;50.68,1.77,;46.68,2.54,;46.68,4.08,;45.35,1.76,;44.01,2.53,;44.01,4.08,;42.67,4.85,;42.67,6.39,;41.34,4.08,;41.34,2.53,;42.68,1.76,;42.68,.22,;53.34,.22,;52.56,1.56,;54.1,1.56,;54.67,-.54,;54.66,-2.08,;55.99,-2.85,;57.32,-2.08,;57.32,-.54,;55.99,.22,;58.64,.23,;59.98,1,)| Show InChI InChI=1S/C22H25F2N3O2S/c1-27(30(28,29)20-4-2-3-15(11-20)14-25)19-8-5-16(6-9-19)22(26)13-17-12-18(23)7-10-21(17)24/h2-4,7,10-12,16,19,22H,5-6,8-9,13,26H2,1H3/t16-,19-,22-/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	85	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