Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50137245'   

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))	BDBM50137245 (CHEMBL3084941 | N-[4-((S)-1-Amino-2-oxo-2-pyrrolid...) Show SMILES [H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1F)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:20.22,(19.22,3.49,;17.88,2.72,;16.55,1.94,;16.55,.4,;17.88,-.36,;19.21,.4,;19.21,1.94,;17.88,-1.9,;19.21,-2.67,;20.54,-1.9,;19.21,-4.21,;20.54,-3.44,;21.86,-2.67,;23.19,-3.44,;23.19,-4.98,;24.53,-5.75,;21.86,-5.75,;21.85,-7.29,;20.53,-4.98,;19.2,-5.74,;17.88,4.26,;16.55,5.03,;19.21,5.06,;19.21,6.58,;20.54,4.26,;21.96,4.89,;22.99,3.75,;22.22,2.4,;20.7,2.72,)| Show InChI InChI=1S/C18H24F3N3O3S/c19-13-7-8-14(16(21)15(13)20)28(26,27)23-12-5-3-11(4-6-12)17(22)18(25)24-9-1-2-10-24/h7-8,11-12,17,23H,1-6,9-10,22H2/t11-,12-,17-/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	8.20E+3	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