Brief Information of the Compound and Protein
Compound Name
 Compound Info 
CID6851947
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 PubChem ID
CID: 135421197
SID: 17496224
Canonical SMILES
Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1
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Compound Formula C23H28N4O2
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
CL000018 HL-60
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 920 nM
   TI
   LI
   LO
   TS
CL000364 Hs 578T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
CL000597 Hs 888.Lu
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 3200 nM
   TI
   LI
   LO
   TS
CL000243 MCF-10A
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 3200 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 > 75000 nM
   TI
   LI
   LO
   TS
CL000365 NCI-H226
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 350 nM
   TI
   LI
   LO
   TS
CL000366 UACC-62
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 4080 nM
2 IC50 = 3200 nM
3 IC50 > 100000 nM