Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile; 2,2,2-trifluoroacetic acid
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 PubChem ID
CID: 11243969
SID: 16328544
Canonical SMILES
N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2
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Compound Formula C18H25N3O2
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
Ki = 0.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.6 nM
2 IC50 = 1.5 nM
3 IC50 = 3 nM
4 IC50 = 3.37 nM
5 IC50 = 3.4 nM
6 IC50 = 30.3 nM
7 IC50 = 50 nM
8 Kd = 0.3 nM
9 Kd = 15.9 nM
10 Ki = 0.6 nM