Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338467'   

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))	BDBM50338467 (CHEMBL1683101 | trans-N-(4-((R)-1-amino-2-(2,5-dif...) Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)C(C)(C)C |r,wU:8.9,2.1,wD:5.5,(17.52,-13.31,;17.52,-11.77,;16.19,-10.99,;14.85,-11.76,;13.52,-10.99,;13.53,-9.46,;14.85,-8.68,;16.19,-9.45,;12.19,-8.69,;12.19,-7.15,;10.86,-9.46,;9.53,-8.69,;9.52,-7.14,;8.19,-6.38,;8.18,-4.84,;6.86,-7.15,;6.86,-8.69,;8.19,-9.46,;8.19,-11,;18.86,-11,;18.86,-9.46,;20.19,-11.77,;20.18,-13.31,;21.52,-11.01,;21.51,-12.54,)| Show InChI InChI=1S/C20H30F2N2O/c1-20(2,3)19(25)24(4)16-8-5-13(6-9-16)18(23)12-14-11-15(21)7-10-17(14)22/h7,10-11,13,16,18H,5-6,8-9,12,23H2,1-4H3/t13-,16-,18-/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	110	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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