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Compile Data Set for Download or QSAR

Found 112 hits Enz. Inhib. hit(s) with all data for entry = 50013899   
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 6


(Homo sapiens (Human))
BDBM50570668
PNG
(CHEMBL4862510)
Show SMILES NC(=O)c1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50517568
PNG
(CHEMBL4438566)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O2S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23)
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n/an/a 7.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570667
PNG
(CHEMBL4877300)
Show SMILES CSc1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 9.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50517570
PNG
(CHEMBL4530950)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C20H15ClN2O2S/c21-15-9-10-19-17(11-15)23(16-3-1-2-4-18(16)26-19)12-13-5-7-14(8-6-13)20(24)22-25/h1-11,25H,12H2,(H,22,24)
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n/an/a 9.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570670
PNG
(CHEMBL4874671)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3[S+]([O-])c3ccc(Cl)cc23)cc1
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n/an/a 9.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570669
PNG
(CHEMBL4877805)
Show SMILES C\C(=N/O)c1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
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 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570674
PNG
(CHEMBL4847771)
Show SMILES NC(=O)c1ccc2[S+]([O-])c3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50517565
PNG
(CHEMBL4472834)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)cc1
Show InChI InChI=1S/C21H15F3N2O2S/c22-21(23,24)15-9-10-19-17(11-15)26(16-3-1-2-4-18(16)29-19)12-13-5-7-14(8-6-13)20(27)25-28/h1-11,28H,12H2,(H,25,27)
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570675
PNG
(CHEMBL4846564)
Show SMILES C\C(=N/O)c1ccc2[S+]([O-])c3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50517567
PNG
(CHEMBL4545246)
Show SMILES COc1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
Show InChI InChI=1S/C21H18N2O3S/c1-26-16-10-11-20-18(12-16)23(17-4-2-3-5-19(17)27-20)13-14-6-8-15(9-7-14)21(24)22-25/h2-12,25H,13H2,1H3,(H,22,24)
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570671
PNG
(CHEMBL4877023)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3[S+]([O-])c3ccc(cc23)C(F)(F)F)cc1
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50570676
PNG
(CHEMBL4859992)
Show SMILES NC(=O)c1ccc2Sc3ccccc3N(Cc3ccc(\C=C\C(=O)NO)cc3)c2c1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50517575
PNG
(CHEMBL4473451)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3[S+]([O-])c3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O3S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)26(25)19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23)
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50551544
PNG
(CHEMBL4796066)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50570679
PNG
(CHEMBL4874716)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(cc23)C(=O)Nc2ccc(Br)cn2)cc1
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570672
PNG
(CHEMBL4858210)
Show SMILES COc1ccc2[S+]([O-])c3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570673
PNG
(CHEMBL4872697)
Show SMILES CSc1ccc2[S+]([O-])c3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570676
PNG
(CHEMBL4859992)
Show SMILES NC(=O)c1ccc2Sc3ccccc3N(Cc3ccc(\C=C\C(=O)NO)cc3)c2c1
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
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 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(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 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50570677
PNG
(CHEMBL4852441)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(cc23)C(=O)Nc2ccccn2)cc1
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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 3


(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 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50570678
PNG
(CHEMBL4861336)
Show SMILES Cc1ccc(NC(=O)c2ccc3Sc4ccccc4N(Cc4ccc(cc4)C(=O)NO)c3c2)nc1
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TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50551544
PNG
(CHEMBL4796066)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
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TBA

Assay Description
Inhibition of HDAC1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50570668
PNG
(CHEMBL4862510)
Show SMILES NC(=O)c1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570677
PNG
(CHEMBL4852441)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(cc23)C(=O)Nc2ccccn2)cc1
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TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50570668
PNG
(CHEMBL4862510)
Show SMILES NC(=O)c1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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TBA

Assay Description
Inhibition of HDAC3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50570668
PNG
(CHEMBL4862510)
Show SMILES NC(=O)c1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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TBA

Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrate...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50551544
PNG
(CHEMBL4796066)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
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TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570679
PNG
(CHEMBL4874716)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(cc23)C(=O)Nc2ccc(Br)cn2)cc1
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TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
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 170n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50570668
PNG
(CHEMBL4862510)
Show SMILES NC(=O)c1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50517570
PNG
(CHEMBL4530950)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C20H15ClN2O2S/c21-15-9-10-19-17(11-15)23(16-3-1-2-4-18(16)26-19)12-13-5-7-14(8-6-13)20(24)22-25/h1-11,25H,12H2,(H,22,24)
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TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50570677
PNG
(CHEMBL4852441)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(cc23)C(=O)Nc2ccccn2)cc1
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TBA

Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrate...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50570669
PNG
(CHEMBL4877805)
Show SMILES C\C(=N/O)c1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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n/an/a 330n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50551544
PNG
(CHEMBL4796066)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
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TBA

Assay Description
Inhibition of HDAC3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50517570
PNG
(CHEMBL4530950)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C20H15ClN2O2S/c21-15-9-10-19-17(11-15)23(16-3-1-2-4-18(16)26-19)12-13-5-7-14(8-6-13)20(24)22-25/h1-11,25H,12H2,(H,22,24)
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TBA

Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50517567
PNG
(CHEMBL4545246)
Show SMILES COc1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
Show InChI InChI=1S/C21H18N2O3S/c1-26-16-10-11-20-18(12-16)23(17-4-2-3-5-19(17)27-20)13-14-6-8-15(9-7-14)21(24)22-25/h2-12,25H,13H2,1H3,(H,22,24)
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TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50570679
PNG
(CHEMBL4874716)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(cc23)C(=O)Nc2ccc(Br)cn2)cc1
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TBA

Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrate...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50570678
PNG
(CHEMBL4861336)
Show SMILES Cc1ccc(NC(=O)c2ccc3Sc4ccccc4N(Cc4ccc(cc4)C(=O)NO)c3c2)nc1
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TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50551544
PNG
(CHEMBL4796066)
Show SMILES ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1
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TBA

Assay Description
Inhibition of HDAC2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50570668
PNG
(CHEMBL4862510)
Show SMILES NC(=O)c1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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TBA

Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50570668
PNG
(CHEMBL4862510)
Show SMILES NC(=O)c1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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TBA

Assay Description
Inhibition of N-terminal GST-tagged and C-terminal His-tagged human HDAC4 (627 to 1084 residues) expressed in baculovirus infected Sf9 cells using Bo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50570678
PNG
(CHEMBL4861336)
Show SMILES Cc1ccc(NC(=O)c2ccc3Sc4ccccc4N(Cc4ccc(cc4)C(=O)NO)c3c2)nc1
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TBA

Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrate...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50570667
PNG
(CHEMBL4877300)
Show SMILES CSc1ccc2Sc3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50570673
PNG
(CHEMBL4872697)
Show SMILES CSc1ccc2[S+]([O-])c3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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TBA

Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50570677
PNG
(CHEMBL4852441)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(cc23)C(=O)Nc2ccccn2)cc1
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TBA

Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50517565
PNG
(CHEMBL4472834)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)cc1
Show InChI InChI=1S/C21H15F3N2O2S/c22-21(23,24)15-9-10-19-17(11-15)26(16-3-1-2-4-18(16)29-19)12-13-5-7-14(8-6-13)20(27)25-28/h1-11,28H,12H2,(H,25,27)
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antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 840n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50570679
PNG
(CHEMBL4874716)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccc(cc23)C(=O)Nc2ccc(Br)cn2)cc1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 850n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
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