Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50140513'   

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))	BDBM50140513 (CHEMBL23660 | N-{4-[(S)-1-Amino-2-((S)-3-fluoro-py...) Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)C(=O)N1CC[C@H](F)C1 |wU:5.8,1.0,wD:2.7,24.26,(7.35,-11.7,;7.35,-10.16,;6.02,-9.4,;6.02,-7.85,;4.67,-7.08,;3.35,-7.85,;3.35,-9.4,;4.67,-10.16,;2.01,-7.06,;.68,-7.81,;.68,-9.37,;-.65,-7.06,;-2,-7.81,;-3.32,-7.06,;-3.32,-5.51,;-4.67,-4.74,;-1.98,-4.74,;-1.97,-3.2,;-.65,-5.51,;8.67,-9.4,;8.67,-7.85,;10,-10.16,;11.34,-9.4,;12.49,-10.44,;11.86,-11.82,;12.61,-13.15,;10.33,-11.67,)| Show InChI InChI=1S/C19H24F3N3O2/c20-13-7-8-25(10-13)19(27)17(23)11-1-4-14(5-2-11)24-18(26)12-3-6-15(21)16(22)9-12/h3,6,9,11,13-14,17H,1-2,4-5,7-8,10,23H2,(H,24,26)/t11-,13-,14-,17-/m0/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	54	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
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