Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US10167313, Compound 53
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 PubChem ID
CID: 44520164
SID: 85855473
Canonical SMILES
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O
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Compound Formula C31H38N4O11S
Compound Structure
Protein Name
 Protein Info 
Caspase-3
Protein Classification
Enzyme
>
Protease
>
Cysteine protease
>
Cysteine protease CD clan
>
Cysteine protease C14 family
Uniprot ID
P42574
Gene Name
CASP3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 60 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 90 nM