Brief Information of the Compound and Protein
Compound Name
N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
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PubChem ID
CID: 49850262
SID: 104219998
Canonical SMILES
CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
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Compound Formula C20H21N3O2
Compound Structure
Protein Name
Histone deacetylase 1
Protein Classification
Epigenetic regulator
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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
CL000162 HeLa S3 Homo sapiens (Human)  1
1
IC50 = 2700 nM
   TI
   LI
   LO
   TS
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  8
1
IC50 = 718 nM
   TI
   LI
   LO
   TS
2
IC50 = 967 nM
   TI
   LI
   LO
   TS
3
IC50 = 1258.93 nM
   TI
   LI
   LO
   TS
4
IC50 = 1540 nM
   TI
   LI
   LO
   TS
5
IC50 = 1910 nM
   TI
   LI
   LO
   TS
6
IC50 = 2490 nM
   TI
   LI
   LO
   TS
7
IC50 = 2700 nM
   TI
   LI
   LO
   TS
8
IC50 = 16400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 144 nM
2 IC50 = 392 nM
3 IC50 = 752 nM
4 IC50 = 1400 nM
5 IC50 = 1910 nM
6 IC50 = 2240 nM
7 IC50 = 2490 nM
8 IC50 = 2700 nM
9 IC50 = 2870 nM
10 IC50 = 2977 nM
11 IC50 = 3200 nM
12 IC50 = 3259 nM
13 IC50 = 7048 nM
14 IC50 = 7582.5 nM
15 IC50 = 8000 nM
16 IC50 = 8100 nM
17 IC50 = 13800 nM
18 IC50 = 14350 nM
19 IC50 = 16400 nM
20 IC50 > 3000 nM
21 IC50 > 5000 nM
22 Ki = 1280 nM
23 Ki = 3823.3 nM