Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338415'   

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))	BDBM50338415 (CHEMBL1683121 | trans-(R)-1-(4-((R)-1-amino-2-(2,5...) Show SMILES N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC[C@H](C1)C(N)=O |r,wU:1.0,14.18,21.25,wD:11.17,(9.64,-4.77,;9.64,-6.31,;8.31,-7.09,;6.98,-6.32,;6.97,-4.77,;5.64,-4,;5.63,-2.46,;4.31,-4.78,;4.3,-6.32,;5.64,-7.09,;5.64,-8.63,;10.98,-7.08,;10.97,-8.62,;12.3,-9.39,;13.64,-8.62,;13.64,-7.08,;12.3,-6.3,;14.97,-9.39,;16.3,-8.62,;17.63,-9.4,;17.63,-10.94,;16.28,-11.7,;14.96,-10.93,;16.27,-13.24,;17.6,-14.02,;14.93,-14,)| Show InChI InChI=1S/C20H29F2N3O/c21-16-5-8-18(22)15(10-16)11-19(23)13-3-6-17(7-4-13)25-9-1-2-14(12-25)20(24)26/h5,8,10,13-14,17,19H,1-4,6-7,9,11-12,23H2,(H2,24,26)/t13-,14-,17-,19-/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	70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 21: 1880-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.060 BindingDB Entry DOI: 10.7270/Q2SX6DJG
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