Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}pyrrolidine-2-carbonitrile
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 PubChem ID
CID: 6918537
SID: 14898545
Canonical SMILES
OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N
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Compound Formula C17H25N3O2
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
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 56 nM
   TI
   LI
   LO
   TS
CL000034 Caco-2
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.58 nM
2 IC50 = 3 nM
3 IC50 = 9 nM
4 IC50 = 10 nM
5 IC50 = 16 nM
6 IC50 = 16.6 nM
7 IC50 = 17 nM
8 IC50 = 23 nM
9 IC50 = 34 nM
10 IC50 = 51 nM
11 IC50 = 56 nM
12 IC50 = 95 nM
13 IC50 = 120 nM
14 IC50 = 3500 nM
15 Kd = 2.4 nM
16 Kd = 10.7 nM
17 Ki = 3 nM
18 Ki = 17000 nM