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 6
Protein Classification
Epigenetic regulator
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Eraser
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Histone deacetylase
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HDAC class IIb
Uniprot ID
Q9UBN7
Gene Name
HDAC6
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  2
1
IC50 = 100 nM
   TI
   LI
   LO
   TS
2
IC50 = 2500 nM
   TI
   LI
   LO
   TS
CL000162 HeLa S3 Homo sapiens (Human)  1
1
IC50 = 31 nM
   TI
   LI
   LO
   TS
CL000186 RPMI-8226 Homo sapiens (Human)  1
1
EC50 = 1090 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  13
1
IC50 = 3.5 nM
   TI
   LI
   LO
   TS
2
IC50 = 11 nM
   TI
   LI
   LO
   TS
3
IC50 = 13 nM
   TI
   LI
   LO
   TS
4
IC50 = 13.7 nM
   TI
   LI
   LO
   TS
5
IC50 = 14 nM
   TI
   LI
   LO
   TS
6
IC50 = 15 nM
   TI
   LI
   LO
   TS
7
IC50 = 21 nM
   TI
   LI
   LO
   TS
8
IC50 = 30.4 nM
   TI
   LI
   LO
   TS
9
IC50 = 31 nM
   TI
   LI
   LO
   TS
10
IC50 = 64.04 nM
   TI
   LI
   LO
   TS
11
Ki = 3.43 nM
   TI
   LI
   LO
   TS
12
Ki = 7.56 nM
   TI
   LI
   LO
   TS
13
Km = 29100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.9 nM
2 IC50 = 2 nM
3 IC50 = 3.5 nM
4 IC50 = 4 nM
5 IC50 = 4.4 nM
6 IC50 = 9.4 nM
7 IC50 = 11.14 nM
8 IC50 = 13.7 nM
9 IC50 = 14 nM
10 IC50 = 15 nM
11 IC50 = 18 nM
12 IC50 = 20 nM
13 IC50 = 25.76 nM
14 IC50 = 26.35 nM
15 IC50 = 27 nM
16 IC50 = 27.4 nM
17 IC50 = 28.28 nM
18 IC50 = 28.71 nM
19 IC50 = 28.88 nM
20 IC50 = 31 nM
21 IC50 = 78.74 nM
22 IC50 = 854 nM
23 IC50 < 300 nM
24 Ki = 3.3 nM
25 Ki = 4 nM