Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50137269'   

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))	BDBM50137269 (CHEMBL1682974 | N-[4-((S)-1-Amino-2-oxo-2-thiazoli...) Show SMILES [H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCSC1 |r,wU:1.0,21.23,4.7,(35.51,-27.56,;36.6,-26.47,;36.6,-28.01,;37.93,-28.77,;39.26,-28.01,;39.26,-26.47,;37.93,-25.69,;40.59,-28.78,;41.93,-28.01,;41.93,-26.47,;43.26,-28.78,;43.25,-30.32,;44.58,-31.09,;45.92,-30.32,;47.25,-31.09,;47.25,-32.63,;48.59,-33.4,;45.92,-33.4,;47.24,-34.17,;45.92,-28.78,;44.59,-28.01,;35.27,-25.7,;35.26,-24.16,;33.93,-26.48,;33.94,-28.02,;32.6,-25.71,;31.19,-26.33,;30.16,-25.19,;30.92,-23.86,;32.43,-24.17,)| Show InChI InChI=1S/C19H24F3N3O3S/c20-19(21,22)28-15-7-3-13(4-8-15)17(26)24-14-5-1-12(2-6-14)16(23)18(27)25-9-10-29-11-25/h3-4,7-8,12,14,16H,1-2,5-6,9-11,23H2,(H,24,26)/t12-,14-,16-/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	33	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