Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50137258'   

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))	BDBM50137258 (CHEMBL3084951 | [4-((S)-1-Amino-2-oxo-2-thiazolidi...) Show SMILES [H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1ccc2ccccc2c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:22.25,(1.73,2.31,;3.07,1.54,;1.75,.76,;1.75,-.78,;3.07,-1.54,;4.4,-.78,;4.4,.76,;3.07,-3.09,;4.42,-3.86,;5.75,-3.09,;4.42,-5.4,;5.75,-6.17,;5.75,-7.72,;7.08,-8.47,;7.09,-10.02,;5.75,-10.79,;5.75,-12.32,;4.43,-13.09,;3.09,-12.32,;3.09,-10.79,;4.42,-10.02,;4.42,-8.47,;3.07,3.09,;1.74,3.86,;4.42,3.87,;4.42,5.42,;5.75,3.09,;7.16,3.72,;8.19,2.57,;7.42,1.23,;5.92,1.56,)| Show InChI InChI=1S/C23H29N3O3S/c24-21(22(27)26-11-12-30-15-26)18-7-9-20(10-8-18)25-23(28)29-14-16-5-6-17-3-1-2-4-19(17)13-16/h1-6,13,18,20-21H,7-12,14-15,24H2,(H,25,28)/t18-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dipeptidyl-peptidase IV.				Bioorg Med Chem Lett 14: 43-6 (2003) BindingDB Entry DOI: 10.7270/Q26972ZM
					More data for this Ligand-Target Pair