Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338626'   

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))	BDBM50338626 ((R)-3-amino-1-(3-(4-(amide)phenyl)-6,7-dihydro-[1,...) Show SMILES N[C@@H](CC(=O)N1CCn2nnc(c2C1)-c1ccc(cc1)C(N)=O)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C22H21F3N6O2/c23-16-10-18(25)17(24)8-14(16)7-15(26)9-20(32)30-5-6-31-19(11-30)21(28-29-31)12-1-3-13(4-2-12)22(27)33/h1-4,8,10,15H,5-7,9,11,26H2,(H2,27,33)/t15-/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	36.4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC				Bioorg Med Chem Lett 21: 1731-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.086 BindingDB Entry DOI: 10.7270/Q2N58MN7
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