Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50140542'   

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))	BDBM50140542 (CHEMBL277193 | N-{4-[(S)-1-Amino-2-((3R,4R)-3,4-di...) Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1C[C@@H](F)[C@H](F)C1 |wU:1.0,5.8,26.28,wD:2.7,24.26,(5.22,-7.44,;5.22,-5.89,;3.89,-5.12,;3.89,-3.56,;2.56,-2.79,;1.22,-3.56,;1.22,-5.12,;2.56,-5.89,;-.13,-2.77,;-1.47,-3.54,;-.68,-4.89,;-2.81,-4.33,;-2.24,-2.2,;-1.47,-.87,;-2.24,.48,;-3.79,.48,;-4.58,1.82,;-4.56,-.87,;-3.79,-2.2,;-4.58,-3.54,;6.55,-5.12,;6.55,-3.56,;7.9,-5.89,;8.23,-7.4,;9.76,-7.56,;10.46,-8.93,;10.39,-6.16,;11.93,-6.16,;9.24,-5.12,)| Show InChI InChI=1S/C18H23F4N3O3S/c19-11-3-6-16(13(20)7-11)29(27,28)24-12-4-1-10(2-5-12)17(23)18(26)25-8-14(21)15(22)9-25/h3,6-7,10,12,14-15,17,24H,1-2,4-5,8-9,23H2/t10-,12-,14-,15-,17+/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	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Dipeptidyl-peptidase IV				Bioorg Med Chem Lett 14: 1265-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.040 BindingDB Entry DOI: 10.7270/Q2G73D5Q
					More data for this Ligand-Target Pair