Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338405'   

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))	BDBM50338405 (CHEMBL1683112 | trans-N-(4-((R)-1-amino-2-(2,5-dif...) Show SMILES CC(=O)N(CCCC(F)(F)F)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:17.18,11.10,wD:14.14,(2.61,-39.48,;1.28,-38.71,;1.28,-37.17,;-.06,-39.48,;-.06,-41.02,;-1.4,-41.79,;-1.4,-43.33,;-2.74,-44.09,;-2.74,-45.63,;-4.07,-43.32,;-3.83,-45.18,;-1.39,-38.71,;-2.73,-39.47,;-4.05,-38.7,;-4.05,-37.17,;-2.72,-36.39,;-1.39,-37.16,;-5.38,-36.4,;-5.39,-34.86,;-6.72,-37.17,;-8.05,-36.4,;-8.06,-34.85,;-9.39,-34.09,;-9.4,-32.55,;-10.72,-34.86,;-10.72,-36.4,;-9.39,-37.18,;-9.39,-38.72,)| Show InChI InChI=1S/C20H27F5N2O/c1-13(28)27(10-2-9-20(23,24)25)17-6-3-14(4-7-17)19(26)12-15-11-16(21)5-8-18(15)22/h5,8,11,14,17,19H,2-4,6-7,9-10,12,26H2,1H3/t14-,17-,19-/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	100	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