Brief Information of the Compound and Protein
Compound Name
(2R,5S,7R)-1-Aza-7-benzyloxycarbonylamino-8-oxo-4-thiabicyclo[3.3.0]octane-2-carbonitrile
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PubChem ID
CID: 44541488
SID: 87223060
Canonical SMILES
O=C(N[C@@H]1C[C@@H]2SC[C@@H](C#N)N2C1=O)OCc1ccccc1
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Compound Formula C15H15N3O3S
Compound Structure
Protein Name
Prolyl endopeptidase
Protein Classification
Enzyme
>
Protease
>
Serine protease
>
Serine protease SC clan
>
Serine protease S9A subfamily
Uniprot ID
P48147
Gene Name
PREP
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000419 HCE-T Homo sapiens (Human)  1
1
IC50 = 1300 nM
   TI
   LI
   LO
   TS
CL000417 LN-229 Homo sapiens (Human)  1
1
IC50 = 2000 nM
   TI
   LI
   LO
   TS
CL000418 LN-308 Homo sapiens (Human)  1
1
IC50 = 2500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 200 nM
2 IC50 = 500 nM