Brief Information of the Compound and Protein
Compound Name
4-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]oxane-4-carboxamide
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PubChem ID
CID: 49783666
SID: 103056244
Canonical SMILES
NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
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Compound Formula C22H22N4O2
Compound Structure
Protein Name
Dipeptidyl peptidase 1
Protein Classification
Enzyme
>
Protease
>
Cysteine protease
>
Cysteine protease CA clan
>
Cysteine protease C1A family
Uniprot ID
P53634
Gene Name
CTSC
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 = 5.012 nM
   TI
   LI
   LO
   TS
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 = 7.943 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.7943 nM
2 IC50 = 1 nM
3 IC50 = 2.9 nM
4 IC50 = 5 nM