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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'bouchet' and Initial = 's'   
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 3


(Homo sapiens (Human))
BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
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-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using fluorogenic HDAC substrate measured after 10 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
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-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate measured after 15 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
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-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using fluorogenic HDAC substrate measured after 15 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
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-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate measured after 30 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
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-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using fluorogenic HDAC substrate measured after 45 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
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 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 6


(Homo sapiens (Human))
BDBM50525404
PNG
(CHEMBL4563988)
Show SMILES COC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO
Show InChI InChI=1S/C20H25NO5/c1-25-20(23)17-13-12-15-9-6-7-10-16(15)19(17)26-14-8-4-2-3-5-11-18(22)21-24/h6-7,9-10,12-13,24H,2-5,8,11,14H2,1H3,(H,21,22)
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n/an/a 95n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate measured after 30 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
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 8


(Homo sapiens (Human))
BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
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-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluorogenic HDAC substrate measured after 60 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
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-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 using fluorogenic HDAC substrate class 2a measured after 45 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50525404
PNG
(CHEMBL4563988)
Show SMILES COC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO
Show InChI InChI=1S/C20H25NO5/c1-25-20(23)17-13-12-15-9-6-7-10-16(15)19(17)26-14-8-4-2-3-5-11-18(22)21-24/h6-7,9-10,12-13,24H,2-5,8,11,14H2,1H3,(H,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using fluorogenic HDAC substrate measured after 10 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50525404
PNG
(CHEMBL4563988)
Show SMILES COC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO
Show InChI InChI=1S/C20H25NO5/c1-25-20(23)17-13-12-15-9-6-7-10-16(15)19(17)26-14-8-4-2-3-5-11-18(22)21-24/h6-7,9-10,12-13,24H,2-5,8,11,14H2,1H3,(H,21,22)
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n/an/a 1.60E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using fluorogenic HDAC substrate measured after 45 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50525404
PNG
(CHEMBL4563988)
Show SMILES COC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO
Show InChI InChI=1S/C20H25NO5/c1-25-20(23)17-13-12-15-9-6-7-10-16(15)19(17)26-14-8-4-2-3-5-11-18(22)21-24/h6-7,9-10,12-13,24H,2-5,8,11,14H2,1H3,(H,21,22)
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n/an/a 1.60E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluorogenic HDAC substrate measured after 60 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
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-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
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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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 4


(Homo sapiens (Human))
BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
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-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
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))
BDBM50525404
PNG
(CHEMBL4563988)
Show SMILES COC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO
Show InChI InChI=1S/C20H25NO5/c1-25-20(23)17-13-12-15-9-6-7-10-16(15)19(17)26-14-8-4-2-3-5-11-18(22)21-24/h6-7,9-10,12-13,24H,2-5,8,11,14H2,1H3,(H,21,22)
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n/an/a 3.40E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using fluorogenic HDAC substrate measured after 15 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50525404
PNG
(CHEMBL4563988)
Show SMILES COC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO
Show InChI InChI=1S/C20H25NO5/c1-25-20(23)17-13-12-15-9-6-7-10-16(15)19(17)26-14-8-4-2-3-5-11-18(22)21-24/h6-7,9-10,12-13,24H,2-5,8,11,14H2,1H3,(H,21,22)
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n/an/a 3.50E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate measured after 15 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
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 9


(Homo sapiens (Human))
BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
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-/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50328678
PNG
(6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
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n/an/a 5.20E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
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 11


(Homo sapiens (Human))
BDBM50525404
PNG
(CHEMBL4563988)
Show SMILES COC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO
Show InChI InChI=1S/C20H25NO5/c1-25-20(23)17-13-12-15-9-6-7-10-16(15)19(17)26-14-8-4-2-3-5-11-18(22)21-24/h6-7,9-10,12-13,24H,2-5,8,11,14H2,1H3,(H,21,22)
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n/an/a 6.60E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50179360
PNG
(CHEMBL3040216)
Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-
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n/an/a 6.70E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sirtuin 1 using fluorogenic HDAC substrate measured after 20 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
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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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
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50179360
PNG
(CHEMBL3040216)
Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-
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n/an/a 1.70E+4n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sirtuin 2 using fluoro-lysine sirtuin 2 deacetylase substrate measured after 60 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
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
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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n/an/a 3.60E+4n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sirtuin 3 using fluoro-lysine sirtuin 2 deacetylase substrate measured after 45 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
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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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 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))
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 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))
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/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


(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/an/an/a 1.68E+3n/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human MeT-5A cells assessed as increase in transfected YFP fused histone H3 acetylation treated at 8 hrs after YFP fused H3 tra...


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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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


(Homo sapiens (Human))
BDBM50525404
PNG
(CHEMBL4563988)
Show SMILES COC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO
Show InChI InChI=1S/C20H25NO5/c1-25-20(23)17-13-12-15-9-6-7-10-16(15)19(17)26-14-8-4-2-3-5-11-18(22)21-24/h6-7,9-10,12-13,24H,2-5,8,11,14H2,1H3,(H,21,22)
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n/an/an/an/a 7.84E+3n/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human MeT-5A cells assessed as increase in transfected YFP fused histone H3 acetylation treated at 8 hrs after YFP fused H3 tra...


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50525405
PNG
(CHEMBL4516678)
Show SMILES COC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)Nc1ccccc1N
Show InChI InChI=1S/C26H30N2O4/c1-31-26(30)21-17-16-19-11-6-7-12-20(19)25(21)32-18-10-4-2-3-5-15-24(29)28-23-14-9-8-13-22(23)27/h6-9,11-14,16-17H,2-5,10,15,18,27H2,1H3,(H,28,29)
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n/an/an/an/a 8.14E+3n/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human MeT-5A cells assessed as increase in transfected YFP fused histone H3 acetylation treated at 8 hrs after YFP fused H3 tra...


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair
Histone deacetylase


(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/an/an/a 3.81E+3n/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human MeT-5A cells assessed as increase in transfected YFP fused histone H3 acetylation treated at 8 hrs after YFP fused H3 tra...


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair