Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338476'   

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))	BDBM50338476 (CHEMBL1683110 | 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)C(C)=O |r,wU:9.10,3.2,wD:6.6,(35.87,-35.57,;37.21,-34.8,;37.21,-33.26,;35.88,-32.49,;34.54,-33.26,;33.22,-32.49,;33.22,-30.95,;34.55,-30.17,;35.88,-30.95,;31.89,-30.18,;31.89,-28.64,;30.56,-30.96,;29.22,-30.19,;29.21,-28.64,;27.88,-27.87,;27.87,-26.33,;26.55,-28.65,;26.55,-30.19,;27.88,-30.96,;27.88,-32.5,;38.55,-32.5,;39.88,-33.27,;38.55,-30.96,)| Show InChI InChI=1S/C18H26F2N2O/c1-3-22(12(2)23)16-7-4-13(5-8-16)18(21)11-14-10-15(19)6-9-17(14)20/h6,9-10,13,16,18H,3-5,7-8,11,21H2,1-2H3/t13-,16-,18-/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