Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338420'   

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))	BDBM50338420 (CHEMBL1683126 | trans-3-(((4-((R)-1-amino-2-(2,5-d...) Show SMILES CN(Cc1cccc(c1)C#N)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:17.19,11.11,wD:14.14,(12.51,-10.37,;12.52,-8.83,;13.86,-8.07,;15.19,-8.85,;16.51,-8.08,;17.84,-8.85,;17.84,-10.4,;16.5,-11.16,;15.17,-10.39,;16.49,-12.7,;16.48,-14.24,;11.19,-8.06,;9.85,-8.83,;8.52,-8.06,;8.53,-6.52,;9.85,-5.74,;11.19,-6.52,;7.19,-5.75,;7.19,-4.21,;5.86,-6.53,;4.53,-5.76,;4.52,-4.21,;3.19,-3.44,;3.18,-1.9,;1.86,-4.22,;1.85,-5.76,;3.19,-6.53,;3.19,-8.07,)| Show InChI InChI=1S/C23H27F2N3/c1-28(15-17-4-2-3-16(11-17)14-26)21-8-5-18(6-9-21)23(27)13-19-12-20(24)7-10-22(19)25/h2-4,7,10-12,18,21,23H,5-6,8-9,13,15,27H2,1H3/t18-,21-,23-/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	220	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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