Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H-indol-3-ylmethyl)-12-(6-oxo-octyl)-decahydro-4a,7,10,13-tetraaza-benzocyclododecene-5,8,11,14-tetraone
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 PubChem ID
CID: 6918328
SID: 14789763
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
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Compound Formula C34H49N5O6
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 23 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.7 nM
2 IC50 = 11 nM
3 IC50 = 13 nM
4 IC50 = 22 nM
5 IC50 = 44 nM
6 Ki = 0.04 nM