Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338442'   

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))	BDBM50338442 (CHEMBL1682976 | 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)c1ccccc1C(F)(F)F |r,wU:8.9,2.1,wD:5.4,(33.93,-2.3,;33.93,-.76,;32.6,.01,;31.26,-.75,;29.93,.01,;29.94,1.55,;31.26,2.33,;32.6,1.55,;28.61,2.32,;28.6,3.86,;27.27,1.55,;25.94,2.31,;25.93,3.86,;24.6,4.63,;24.59,6.17,;23.27,3.86,;23.27,2.31,;24.6,1.54,;24.6,0,;35.27,.01,;34.49,1.35,;36.03,1.35,;36.59,-.76,;36.59,-2.3,;37.91,-3.07,;39.25,-2.3,;39.24,-.76,;37.91,0,;37.91,1.54,;39.24,2.32,;36.58,2.31,;37.9,3.09,)| Show InChI InChI=1S/C22H25F5N2O2S/c1-29(32(30,31)21-5-3-2-4-18(21)22(25,26)27)17-9-6-14(7-10-17)20(28)13-15-12-16(23)8-11-19(15)24/h2-5,8,11-12,14,17,20H,6-7,9-10,13,28H2,1H3/t14-,17-,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	110	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
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