Brief Information of the Compound and Protein
Compound Name
 Compound Info 
Emricasan
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 PubChem ID
CID: 12000240
SID: 17499452
Canonical SMILES
C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F
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Compound Formula C26H27F4N3O7
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
CL000081 Jurkat E6.1
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 6 nM
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   LI
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   TS