Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338461'   

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))	BDBM50338461 (CHEMBL1683095 | 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(C)(=O)=O |r,wU:9.10,3.2,wD:6.6,(-1.29,-2.34,;.05,-1.58,;.05,-.04,;-1.28,.74,;-2.62,-.03,;-3.95,.74,;-3.94,2.27,;-2.62,3.05,;-1.28,2.28,;-5.27,3.04,;-5.28,4.58,;-6.61,2.27,;-7.94,3.04,;-7.95,4.59,;-9.28,5.35,;-9.29,6.89,;-10.61,4.58,;-10.61,3.04,;-9.28,2.27,;-9.28,.73,;1.39,.73,;2.71,-.04,;.61,2.07,;2.15,2.07,)| Show InChI InChI=1S/C17H26F2N2O2S/c1-3-21(24(2,22)23)15-7-4-12(5-8-15)17(20)11-13-10-14(18)6-9-16(13)19/h6,9-10,12,15,17H,3-5,7-8,11,20H2,1-2H3/t12-,15-,17-/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	260	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