Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile
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 PubChem ID
CID: 11450633
SID: 16549582
Canonical SMILES
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
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Compound Formula C18H21N5O2
Compound Structure
Protein Name
 Protein Info 
Dipeptidyl peptidase 4
Protein Classification
Enzyme
>
Protease
>
Serine protease
>
Serine protease SC clan
>
Serine protease S9B subfamily
Uniprot ID
P27487
Gene Name
DPP4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000034 Caco-2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 4 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 2.7 nM
   TI
   LI
   LO
   TS
2
IC50 = 4.46 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1 nM
2 IC50 = 1.5 nM
3 IC50 = 3.1 nM
4 IC50 = 3.4 nM
5 IC50 = 4 nM
6 IC50 = 5.3 nM
7 IC50 = 6.9 nM
8 IC50 = 7 nM
9 IC50 = 7.5 nM
10 IC50 = 7.6 nM
11 IC50 < 10 nM
12 Kd = 2.4 nM
13 Kd = 28.5 nM