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PubMed code 28196602

Compile data set for download or QSAR
Found 16 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 2


(Homo sapiens (Human))
BDBM222236
PNG
(4-((7-Chloro-3-(hydroxyimino)-2-oxoindolin-1-yl)me...)
Show SMILES ONC(=O)c1ccc(CN2C(=O)\C(=N/O)c3cccc(Cl)c23)cc1
Show InChI InChI=1S/C16H12ClN3O4/c17-12-3-1-2-11-13(18-23)16(22)20(14(11)12)8-9-4-6-10(7-5-9)15(21)19-24/h1-7,23-24H,8H2,(H,19,21)/b18-13-
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n/an/a 440n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222235
PNG
(N-Hydroxy-4-((3-(hydroxyimino)-5-methoxy-2-oxoindo...)
Show SMILES COc1ccc2N(Cc3ccc(cc3)C(=O)NO)C(=O)\C(=N/O)c2c1
Show InChI InChI=1S/C17H15N3O5/c1-25-12-6-7-14-13(8-12)15(18-23)17(22)20(14)9-10-2-4-11(5-3-10)16(21)19-24/h2-8,23-24H,9H2,1H3,(H,19,21)/b18-15-
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n/an/a 500n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222233
PNG
(4-((5-Bromo-3-(hydroxyimino)-2-oxoindolin-1-yl)met...)
Show SMILES ONC(=O)c1ccc(CN2C(=O)\C(=N/O)c3cc(Br)ccc23)cc1
Show InChI InChI=1S/C16H12BrN3O4/c17-11-5-6-13-12(7-11)14(18-23)16(22)20(13)8-9-1-3-10(4-2-9)15(21)19-24/h1-7,23-24H,8H2,(H,19,21)/b18-14-
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n/an/a 540n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222234
PNG
(N-Hydroxy-4-((3-(hydroxyimino)-5-methyl-2-oxoindol...)
Show SMILES Cc1ccc2N(Cc3ccc(cc3)C(=O)NO)C(=O)\C(=N/O)c2c1
Show InChI InChI=1S/C17H15N3O4/c1-10-2-7-14-13(8-10)15(18-23)17(22)20(14)9-11-3-5-12(6-4-11)16(21)19-24/h2-8,23-24H,9H2,1H3,(H,19,21)/b18-15-
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n/an/a 580n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222237
PNG
(N-hydroxy-4-((3-(hydroxyimino)-5-nitro-2-oxoindoli...)
Show SMILES ONC(=O)c1ccc(CN2C(=O)\C(=N/O)c3cc(ccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H12N4O6/c21-15(18-24)10-3-1-9(2-4-10)8-19-13-6-5-11(20(25)26)7-12(13)14(17-23)16(19)22/h1-7,23-24H,8H2,(H,18,21)/b17-14-
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n/an/a 700n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222227
PNG
(N-Hydroxy-4-((4-((3-(hydroxyimino)-5-methyl-2-oxoi...)
Show SMILES Cc1ccc2N(Cc3cn(Cc4ccc(cc4)C(=O)NO)nn3)C(=O)\C(=N/O)c2c1
Show InChI InChI=1S/C20H18N6O4/c1-12-2-7-17-16(8-12)18(22-29)20(28)26(17)11-15-10-25(24-21-15)9-13-3-5-14(6-4-13)19(27)23-30/h2-8,10,29-30H,9,11H2,1H3,(H,23,27)/b22-18-
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n/an/a 800n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222226
PNG
(4-((4-((5-Bromo-3-(hydroxyimino)-2-oxoindolin-1-yl...)
Show SMILES ONC(=O)c1ccc(Cn2cc(CN3C(=O)\C(=N/O)c4cc(Br)ccc34)nn2)cc1
Show InChI InChI=1S/C19H15BrN6O4/c20-13-5-6-16-15(7-13)17(22-29)19(28)26(16)10-14-9-25(24-21-14)8-11-1-3-12(4-2-11)18(27)23-30/h1-7,9,29-30H,8,10H2,(H,23,27)/b22-17-
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n/an/a 910n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222231
PNG
(4-((5-Fluoro-3-(hydroxyimino)-2-oxoindolin-1-yl)me...)
Show SMILES ONC(=O)c1ccc(CN2C(=O)\C(=N/O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C16H12FN3O4/c17-11-5-6-13-12(7-11)14(18-23)16(22)20(13)8-9-1-3-10(4-2-9)15(21)19-24/h1-7,23-24H,8H2,(H,19,21)/b18-14-
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n/an/a 940n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
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 1.06E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222232
PNG
(4-((5-Chloro-3-(hydroxyimino)-2-oxoindolin-1-yl)me...)
Show SMILES ONC(=O)c1ccc(CN2C(=O)\C(=N/O)c3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C16H12ClN3O4/c17-11-5-6-13-12(7-11)14(18-23)16(22)20(13)8-9-1-3-10(4-2-9)15(21)19-24/h1-7,23-24H,8H2,(H,19,21)/b18-14-
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n/an/a 1.16E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222223
PNG
(N-Hydroxy-4-((4-((3-(hydroxyimino)-2-oxoindolin-1-...)
Show SMILES ONC(=O)c1ccc(Cn2cc(CN3C(=O)\C(=N/O)c4ccccc34)nn2)cc1
Show InChI InChI=1S/C19H16N6O4/c26-18(22-29)13-7-5-12(6-8-13)9-24-10-14(20-23-24)11-25-16-4-2-1-3-15(16)17(21-28)19(25)27/h1-8,10,28-29H,9,11H2,(H,22,26)/b21-17-
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n/an/a 1.17E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222225
PNG
(4-((4-((5-Chloro-3-(hydroxyimino)-2-oxoindolin-1-y...)
Show SMILES ONC(=O)c1ccc(Cn2cc(CN3C(=O)\C(=N/O)c4cc(Cl)ccc34)nn2)cc1
Show InChI InChI=1S/C19H15ClN6O4/c20-13-5-6-16-15(7-13)17(22-29)19(28)26(16)10-14-9-25(24-21-14)8-11-1-3-12(4-2-11)18(27)23-30/h1-7,9,29-30H,8,10H2,(H,23,27)/b22-17-
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n/an/a 1.29E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222224
PNG
(4-((4-((5-Fluoro-3-(hydroxyimino)-2-oxoindolin-1-y...)
Show SMILES ONC(=O)c1ccc(Cn2cc(CN3C(=O)\C(=N/O)c4cc(F)ccc34)nn2)cc1
Show InChI InChI=1S/C19H15FN6O4/c20-13-5-6-16-15(7-13)17(22-29)19(28)26(16)10-14-9-25(24-21-14)8-11-1-3-12(4-2-11)18(27)23-30/h1-7,9,29-30H,8,10H2,(H,23,27)/b22-17-
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n/an/a 1.36E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222228
PNG
(N-Hydroxy-4-((4-((3-(hydroxyimino)-5-methoxy-2-oxo...)
Show SMILES COc1ccc2N(Cc3cn(Cc4ccc(cc4)C(=O)NO)nn3)C(=O)\C(=N/O)c2c1
Show InChI InChI=1S/C20H18N6O5/c1-31-15-6-7-17-16(8-15)18(22-29)20(28)26(17)11-14-10-25(24-21-14)9-12-2-4-13(5-3-12)19(27)23-30/h2-8,10,29-30H,9,11H2,1H3,(H,23,27)/b22-18-
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n/an/a 1.92E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222229
PNG
(4-((4-((7-Chloro-3-(hydroxyimino)-2-oxoindolin-1-y...)
Show SMILES ONC(=O)c1ccc(Cn2cc(CN3C(=O)\C(=N/O)c4cccc(Cl)c34)nn2)cc1
Show InChI InChI=1S/C19H15ClN6O4/c20-15-3-1-2-14-16(22-29)19(28)26(17(14)15)10-13-9-25(24-21-13)8-11-4-6-12(7-5-11)18(27)23-30/h1-7,9,29-30H,8,10H2,(H,23,27)/b22-16-
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n/an/a 1.94E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222230
PNG
(N-Hydroxy-4-((3-(hydroxyimino)-2-oxoindolin-1-yl)m...)
Show SMILES ONC(=O)c1ccc(CN2C(=O)\C(=N/O)c3ccccc23)cc1
Show InChI InChI=1S/C16H13N3O4/c20-15(18-23)11-7-5-10(6-8-11)9-19-13-4-2-1-3-12(13)14(17-22)16(19)21/h1-8,22-23H,9H2,(H,18,20)/b17-14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%