Brief Information of the Compound and Protein
Compound Name
 Compound Info 
S-[(E)-4-[(5R,8S,11S)-5-methyl-6,9,13-trioxo-8-propan-2-yl-10-oxa-3,17-dithia-7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(18),2(20),16(19)-trien-11-yl]but-3-enyl] octanethioate
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 PubChem ID
CID: 24757913
SID: 49661365
Canonical SMILES
CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
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Compound Formula C29H42N4O5S3
Compound Structure
Protein Name
 Protein Info 
Histone deacetylase 1
Protein Classification
Epigenetic regulator
>
Eraser
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Histone deacetylase
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HDAC class I
Uniprot ID
Q13547
Gene Name
HDAC1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 228 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10.09 nM
2 IC50 = 11.4 nM
3 IC50 = 13.7 nM
4 IC50 = 61 nM
5 IC50 = 69.8 nM
6 IC50 = 230 nM
7 IC50 = 2330 nM