Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-N-[(1S)-1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide
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 PubChem ID
CID: 118253852
Canonical SMILES
Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
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Compound Formula C23H24N4O4
Compound Structure
Protein Name
 Protein Info 
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
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 10.3 nM
   TI
   LI
   LO
   TS
CL000100 U-937
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 3.981 nM
   TI
   LI
   LO
   TS
2
IC50 = 15.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.981 nM
2 IC50 = 19.4 nM
3 Kd = 2.512 nM