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PubMed code 23116147

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50399672
PNG
(CHEMBL2178342)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CSc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
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n/an/a 70n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50399673
PNG
(CHEMBL2178343)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C15H14N4O2S/c20-15(17-21)13-3-1-2-12(8-13)14-9-19(18-16-14)6-4-11-5-7-22-10-11/h1-3,5,7-10,21H,4,6H2,(H,17,20)
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n/an/a 100n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50399674
PNG
(CHEMBL2178344)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccccc2)nn1
Show InChI InChI=1S/C17H16N4O2/c22-17(19-23)15-8-4-7-14(11-15)16-12-21(20-18-16)10-9-13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,19,22)
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n/an/a 180n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 210n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 270n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 310n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50399675
PNG
(CHEMBL2178345)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2/c21-16(18-22)14-8-4-7-13(9-14)15-11-20(19-17-15)10-12-5-2-1-3-6-12/h1-9,11,22H,10H2,(H,18,21)
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n/an/a 350n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 780n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50399673
PNG
(CHEMBL2178343)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C15H14N4O2S/c20-15(17-21)13-3-1-2-12(8-13)14-9-19(18-16-14)6-4-11-5-7-22-10-11/h1-3,5,7-10,21H,4,6H2,(H,17,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50399672
PNG
(CHEMBL2178342)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CSc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50399674
PNG
(CHEMBL2178344)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccccc2)nn1
Show InChI InChI=1S/C17H16N4O2/c22-17(19-23)15-8-4-7-14(11-15)16-12-21(20-18-16)10-9-13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,19,22)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50399675
PNG
(CHEMBL2178345)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2/c21-16(18-22)14-8-4-7-13(9-14)15-11-20(19-17-15)10-12-5-2-1-3-6-12/h1-9,11,22H,10H2,(H,18,21)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50399675
PNG
(CHEMBL2178345)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2/c21-16(18-22)14-8-4-7-13(9-14)15-11-20(19-17-15)10-12-5-2-1-3-6-12/h1-9,11,22H,10H2,(H,18,21)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50399672
PNG
(CHEMBL2178342)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CSc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50399675
PNG
(CHEMBL2178345)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2/c21-16(18-22)14-8-4-7-13(9-14)15-11-20(19-17-15)10-12-5-2-1-3-6-12/h1-9,11,22H,10H2,(H,18,21)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50399672
PNG
(CHEMBL2178342)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CSc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50399675
PNG
(CHEMBL2178345)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2/c21-16(18-22)14-8-4-7-13(9-14)15-11-20(19-17-15)10-12-5-2-1-3-6-12/h1-9,11,22H,10H2,(H,18,21)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50399674
PNG
(CHEMBL2178344)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccccc2)nn1
Show InChI InChI=1S/C17H16N4O2/c22-17(19-23)15-8-4-7-14(11-15)16-12-21(20-18-16)10-9-13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,19,22)
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n/an/a 7.60E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50399673
PNG
(CHEMBL2178343)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C15H14N4O2S/c20-15(17-21)13-3-1-2-12(8-13)14-9-19(18-16-14)6-4-11-5-7-22-10-11/h1-3,5,7-10,21H,4,6H2,(H,17,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50399673
PNG
(CHEMBL2178343)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C15H14N4O2S/c20-15(17-21)13-3-1-2-12(8-13)14-9-19(18-16-14)6-4-11-5-7-22-10-11/h1-3,5,7-10,21H,4,6H2,(H,17,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50399673
PNG
(CHEMBL2178343)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C15H14N4O2S/c20-15(17-21)13-3-1-2-12(8-13)14-9-19(18-16-14)6-4-11-5-7-22-10-11/h1-3,5,7-10,21H,4,6H2,(H,17,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50399672
PNG
(CHEMBL2178342)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CSc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50399674
PNG
(CHEMBL2178344)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccccc2)nn1
Show InChI InChI=1S/C17H16N4O2/c22-17(19-23)15-8-4-7-14(11-15)16-12-21(20-18-16)10-9-13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,19,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50399674
PNG
(CHEMBL2178344)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccccc2)nn1
Show InChI InChI=1S/C17H16N4O2/c22-17(19-23)15-8-4-7-14(11-15)16-12-21(20-18-16)10-9-13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,19,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%