Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338444'   

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))	BDBM50338444 (CHEMBL1682978 | 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)S(=O)(=O)c1ccc(cc1)C#N |r,wU:8.9,2.1,wD:5.4,(.58,-11.88,;.58,-10.34,;-.75,-9.56,;-2.09,-10.33,;-3.42,-9.56,;-3.41,-8.02,;-2.09,-7.24,;-.75,-8.02,;-4.75,-7.26,;-4.75,-5.72,;-6.08,-8.03,;-7.41,-7.26,;-7.42,-5.71,;-8.75,-4.95,;-8.76,-3.41,;-10.08,-5.72,;-10.08,-7.26,;-8.75,-8.03,;-8.75,-9.57,;1.92,-9.57,;1.14,-8.23,;2.68,-8.23,;3.24,-10.34,;3.24,-11.87,;4.56,-12.64,;5.89,-11.88,;5.89,-10.33,;4.56,-9.57,;7.23,-12.64,;8.56,-13.41,)| Show InChI InChI=1S/C22H25F2N3O2S/c1-27(30(28,29)20-9-2-15(14-25)3-10-20)19-7-4-16(5-8-19)22(26)13-17-12-18(23)6-11-21(17)24/h2-3,6,9-12,16,19,22H,4-5,7-8,13,26H2,1H3/t16-,19-,22-/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	180	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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