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PubMed code 26611919

Compile data set for download or QSAR
Found 21 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 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 50n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
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 140n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
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 350n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 550n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50115661
PNG
(CHEMBL320497 | N,8-dihydroxy-8-(hydroxyamino)octan...)
Show SMILES ONC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C8H16N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h13-14H,1-6H2,(H,9,11)(H,10,12)
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n/an/a 2.03E+3n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50499957
PNG
(CHEMBL3739529)
Show SMILES CC(C)(C)OC(=O)ON(C(=O)CCCCCCC(=O)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H48N2O12/c1-25(2,3)37-21(33)29(41-23(35)39-27(7,8)9)19(31)17-15-13-14-16-18-20(32)30(22(34)38-26(4,5)6)42-24(36)40-28(10,11)12/h13-18H2,1-12H3
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n/an/a 3.39E+3n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a 3.85E+3n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50115661
PNG
(CHEMBL320497 | N,8-dihydroxy-8-(hydroxyamino)octan...)
Show SMILES ONC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C8H16N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h13-14H,1-6H2,(H,9,11)(H,10,12)
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n/an/a 6.31E+3n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50115661
PNG
(CHEMBL320497 | N,8-dihydroxy-8-(hydroxyamino)octan...)
Show SMILES ONC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C8H16N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h13-14H,1-6H2,(H,9,11)(H,10,12)
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PubMed
n/an/a 8.23E+3n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a 1.82E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50499957
PNG
(CHEMBL3739529)
Show SMILES CC(C)(C)OC(=O)ON(C(=O)CCCCCCC(=O)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H48N2O12/c1-25(2,3)37-21(33)29(41-23(35)39-27(7,8)9)19(31)17-15-13-14-16-18-20(32)30(22(34)38-26(4,5)6)42-24(36)40-28(10,11)12/h13-18H2,1-12H3
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n/an/a 2.99E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50499957
PNG
(CHEMBL3739529)
Show SMILES CC(C)(C)OC(=O)ON(C(=O)CCCCCCC(=O)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H48N2O12/c1-25(2,3)37-21(33)29(41-23(35)39-27(7,8)9)19(31)17-15-13-14-16-18-20(32)30(22(34)38-26(4,5)6)42-24(36)40-28(10,11)12/h13-18H2,1-12H3
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n/an/a 3.06E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50115661
PNG
(CHEMBL320497 | N,8-dihydroxy-8-(hydroxyamino)octan...)
Show SMILES ONC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C8H16N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h13-14H,1-6H2,(H,9,11)(H,10,12)
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PubMed
n/an/a 6.26E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50499957
PNG
(CHEMBL3739529)
Show SMILES CC(C)(C)OC(=O)ON(C(=O)CCCCCCC(=O)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H48N2O12/c1-25(2,3)37-21(33)29(41-23(35)39-27(7,8)9)19(31)17-15-13-14-16-18-20(32)30(22(34)38-26(4,5)6)42-24(36)40-28(10,11)12/h13-18H2,1-12H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50499958
PNG
(CHEMBL3740591)
Show SMILES CC(C)(C)OC(=O)ON(C(=O)CC\C=C\CCC(=O)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H46N2O12/c1-25(2,3)37-21(33)29(41-23(35)39-27(7,8)9)19(31)17-15-13-14-16-18-20(32)30(22(34)38-26(4,5)6)42-24(36)40-28(10,11)12/h13-14H,15-18H2,1-12H3/b14-13+
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n/an/an/an/a 1.77E+4n/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human HeLa cells assessed as inhibition of tubulin deacetylation incubated for overnight by cELISA


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50115661
PNG
(CHEMBL320497 | N,8-dihydroxy-8-(hydroxyamino)octan...)
Show SMILES ONC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C8H16N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h13-14H,1-6H2,(H,9,11)(H,10,12)
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PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human HeLa cells assessed as inhibition of tubulin deacetylation incubated for overnight by cELISA


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human HeLa cells assessed as inhibition of tubulin deacetylation incubated for overnight by cELISA


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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Article
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n/an/an/an/a 22n/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human HeLa cells assessed as inhibition of tubulin deacetylation incubated for overnight by cELISA


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50499957
PNG
(CHEMBL3739529)
Show SMILES CC(C)(C)OC(=O)ON(C(=O)CCCCCCC(=O)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H48N2O12/c1-25(2,3)37-21(33)29(41-23(35)39-27(7,8)9)19(31)17-15-13-14-16-18-20(32)30(22(34)38-26(4,5)6)42-24(36)40-28(10,11)12/h13-18H2,1-12H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human HeLa cells assessed as inhibition of tubulin deacetylation incubated for overnight by cELISA


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%