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PubMed code 26629860

Compile data set for download or QSAR
Found 58 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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141381
PNG
(CHEMBL3758184)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(CCc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(12-4-13-26(17-24)14-11-18-5-2-1-3-6-18)30-22-9-7-19(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+
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n/an/a 1n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141111
PNG
(CHEMBL3758901)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+
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n/an/a 26n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141185
PNG
(CHEMBL3759550)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(CCc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(11-13-25(16-23)12-10-17-4-2-1-3-5-17)29-21-8-6-18(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)/b9-7+
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n/an/a 27n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50141111
PNG
(CHEMBL3758901)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+
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n/an/a 28n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
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/a 29n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50141139
PNG
(CHEMBL3759808)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(Cc1ccccc1)CC3
Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(11-4-13-26(14-12-24)17-19-5-2-1-3-6-19)30-22-9-7-18(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+
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n/an/a 30n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141361
PNG
(CHEMBL3758716)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(Cc4ccc(F)cc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C23H23FN2O4/c24-18-6-2-17(3-7-18)14-26-11-1-10-23(15-26)13-20(27)19-12-16(4-8-21(19)30-23)5-9-22(28)25-29/h2-9,12,29H,1,10-11,13-15H2,(H,25,28)/b9-5+
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n/an/a 34n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141111
PNG
(CHEMBL3758901)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+
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n/an/a 37n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141111
PNG
(CHEMBL3758901)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+
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n/an/a 52n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(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 55n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141608
PNG
(CHEMBL3758515)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(CCc1ccccc1)CC3
Show InChI InChI=1S/C25H28N2O4/c28-22-18-25(31-23-9-7-20(17-21(22)23)8-10-24(29)26-30)12-4-14-27(16-13-25)15-11-19-5-2-1-3-6-19/h1-3,5-10,17,30H,4,11-16,18H2,(H,26,29)/b10-8+
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n/an/a 56n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141241
PNG
(CHEMBL3758450)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C23H24N2O4/c26-20-14-23(11-4-12-25(16-23)15-18-5-2-1-3-6-18)29-21-9-7-17(13-19(20)21)8-10-22(27)24-28/h1-3,5-10,13,28H,4,11-12,14-16H2,(H,24,27)/b10-8+
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n/an/a 56n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141176
PNG
(CHEMBL3760098)
Show SMILES Cn1cc(CN2CC3(C2)CC(=O)c2cc(\C=C\C(=O)NO)ccc2O3)c2ccccc12
Show InChI InChI=1S/C24H23N3O4/c1-26-12-17(18-4-2-3-5-20(18)26)13-27-14-24(15-27)11-21(28)19-10-16(6-8-22(19)31-24)7-9-23(29)25-30/h2-10,12,30H,11,13-15H2,1H3,(H,25,29)/b9-7+
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n/an/a 62n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141144
PNG
(CHEMBL3759197)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C21H20N2O4/c24-18-11-21(13-23(14-21)12-16-4-2-1-3-5-16)27-19-8-6-15(10-17(18)19)7-9-20(25)22-26/h1-10,26H,11-14H2,(H,22,25)/b9-7+
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n/an/a 67n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50141139
PNG
(CHEMBL3759808)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(Cc1ccccc1)CC3
Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(11-4-13-26(14-12-24)17-19-5-2-1-3-6-19)30-22-9-7-18(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+
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n/an/a 72n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141139
PNG
(CHEMBL3759808)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(Cc1ccccc1)CC3
Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(11-4-13-26(14-12-24)17-19-5-2-1-3-6-19)30-22-9-7-18(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+
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n/an/a 73n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141178
PNG
(CHEMBL3759521)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CN(C3)C(=O)c3ccccc3)CC(=O)c2c1
Show InChI InChI=1S/C21H18N2O5/c24-17-11-21(12-23(13-21)20(26)15-4-2-1-3-5-15)28-18-8-6-14(10-16(17)18)7-9-19(25)22-27/h1-10,27H,11-13H2,(H,22,25)/b9-7+
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n/an/a 81n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50141111
PNG
(CHEMBL3758901)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+
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n/an/a 82n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141241
PNG
(CHEMBL3758450)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C23H24N2O4/c26-20-14-23(11-4-12-25(16-23)15-18-5-2-1-3-6-18)29-21-9-7-17(13-19(20)21)8-10-22(27)24-28/h1-3,5-10,13,28H,4,11-12,14-16H2,(H,24,27)/b10-8+
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n/an/a 84n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141184
PNG
(CHEMBL3759353)
Show SMILES Cn1cc(CN2CCC3(C2)CC(=O)c2cc(\C=C\C(=O)NO)ccc2O3)c2ccccc12
Show InChI InChI=1S/C25H25N3O4/c1-27-14-18(19-4-2-3-5-21(19)27)15-28-11-10-25(16-28)13-22(29)20-12-17(6-8-23(20)32-25)7-9-24(30)26-31/h2-9,12,14,31H,10-11,13,15-16H2,1H3,(H,26,30)/b9-7+
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n/an/a 85n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50435604
PNG
(CHEMBL2390995)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccc(F)cc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H23FN2O4/c24-18-5-1-17(2-6-18)15-26-11-9-23(10-12-26)14-20(27)19-13-16(3-7-21(19)30-23)4-8-22(28)25-29/h1-8,13,29H,9-12,14-15H2,(H,25,28)
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n/an/a 92n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 after 15 mins by fluorescence assay


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-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 102n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50435604
PNG
(CHEMBL2390995)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccc(F)cc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H23FN2O4/c24-18-5-1-17(2-6-18)15-26-11-9-23(10-12-26)14-20(27)19-13-16(3-7-21(19)30-23)4-8-22(28)25-29/h1-8,13,29H,9-12,14-15H2,(H,25,28)
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n/an/a 108n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141609
PNG
(CHEMBL3758233)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(CC3)C(=O)c1ccccc1
Show InChI InChI=1S/C24H24N2O5/c27-20-16-24(31-21-9-7-17(15-19(20)21)8-10-22(28)25-30)11-4-13-26(14-12-24)23(29)18-5-2-1-3-6-18/h1-3,5-10,15,30H,4,11-14,16H2,(H,25,28)/b10-8+
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n/an/a 110n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50435606
PNG
(CHEMBL2390996)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(CCc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C24H26N2O4/c27-21-17-24(11-14-26(15-12-24)13-10-18-4-2-1-3-5-18)30-22-8-6-19(16-20(21)22)7-9-23(28)25-29/h1-9,16,29H,10-15,17H2,(H,25,28)
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141386
PNG
(CHEMBL3759339)
Show SMILES CN1CCCC2(CC(=O)c3cc(\C=C\C(=O)NO)ccc3O2)CC1
Show InChI InChI=1S/C18H22N2O4/c1-20-9-2-7-18(8-10-20)12-15(21)14-11-13(3-5-16(14)24-18)4-6-17(22)19-23/h3-6,11,23H,2,7-10,12H2,1H3,(H,19,22)/b6-4+
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n/an/a 114n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141607
PNG
(CHEMBL3758352)
Show SMILES Cn1cc(CN2CCCC3(CC(=O)c4cc(\C=C\C(=O)NO)ccc4O3)CC2)c2ccccc12
Show InChI InChI=1S/C27H29N3O4/c1-29-17-20(21-5-2-3-6-23(21)29)18-30-13-4-11-27(12-14-30)16-24(31)22-15-19(7-9-25(22)34-27)8-10-26(32)28-33/h2-3,5-10,15,17,33H,4,11-14,16,18H2,1H3,(H,28,32)/b10-8+
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n/an/a 114n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141180
PNG
(CHEMBL3759365)
Show SMILES CN1CCC2(C1)CC(=O)c1cc(\C=C\C(=O)NO)ccc1O2
Show InChI InChI=1S/C16H18N2O4/c1-18-7-6-16(10-18)9-13(19)12-8-11(2-4-14(12)22-16)3-5-15(20)17-21/h2-5,8,21H,6-7,9-10H2,1H3,(H,17,20)/b5-3+
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n/an/a 119n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50141111
PNG
(CHEMBL3758901)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+
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n/an/a 123n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141175
PNG
(CHEMBL3758910)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CN(Cc4ccc(F)cc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C21H19FN2O4/c22-16-5-1-15(2-6-16)11-24-12-21(13-24)10-18(25)17-9-14(3-7-19(17)28-21)4-8-20(26)23-27/h1-9,27H,10-13H2,(H,23,26)/b8-4+
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50435606
PNG
(CHEMBL2390996)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(CCc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C24H26N2O4/c27-21-17-24(11-14-26(15-12-24)13-10-18-4-2-1-3-5-18)30-22-8-6-19(16-20(21)22)7-9-23(28)25-29/h1-9,16,29H,10-15,17H2,(H,25,28)
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n/an/a 130n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 after 15 mins by fluorescence assay


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141179
PNG
(CHEMBL3759091)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCNC3)CC(=O)c2c1
Show InChI InChI=1S/C15H16N2O4/c18-12-8-15(5-6-16-9-15)21-13-3-1-10(7-11(12)13)2-4-14(19)17-20/h1-4,7,16,20H,5-6,8-9H2,(H,17,19)/b4-2+
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n/an/a 131n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141384
PNG
(CHEMBL3759976)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCNCC3
Show InChI InChI=1S/C17H20N2O4/c20-14-11-17(6-1-8-18-9-7-17)23-15-4-2-12(10-13(14)15)3-5-16(21)19-22/h2-5,10,18,22H,1,6-9,11H2,(H,19,21)/b5-3+
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n/an/a 134n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141223
PNG
(CHEMBL3759169)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCNC3)CC(=O)c2c1
Show InChI InChI=1S/C16H18N2O4/c19-13-9-16(6-1-7-17-10-16)22-14-4-2-11(8-12(13)14)3-5-15(20)18-21/h2-5,8,17,21H,1,6-7,9-10H2,(H,18,20)/b5-3+
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n/an/a 136n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50435606
PNG
(CHEMBL2390996)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(CCc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C24H26N2O4/c27-21-17-24(11-14-26(15-12-24)13-10-18-4-2-1-3-5-18)30-22-8-6-19(16-20(21)22)7-9-23(28)25-29/h1-9,16,29H,10-15,17H2,(H,25,28)
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n/an/a 138n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 after 15 mins by fluorescence assay


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141241
PNG
(CHEMBL3758450)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C23H24N2O4/c26-20-14-23(11-4-12-25(16-23)15-18-5-2-1-3-6-18)29-21-9-7-17(13-19(20)21)8-10-22(27)24-28/h1-3,5-10,13,28H,4,11-12,14-16H2,(H,24,27)/b10-8+
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n/an/a 143n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141606
PNG
(CHEMBL3759858)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(Cc1ccc(F)cc1)CC3
Show InChI InChI=1S/C24H25FN2O4/c25-19-6-2-18(3-7-19)16-27-12-1-10-24(11-13-27)15-21(28)20-14-17(4-8-22(20)31-24)5-9-23(29)26-30/h2-9,14,30H,1,10-13,15-16H2,(H,26,29)/b9-5+
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141182
PNG
(CHEMBL3758904)
Show SMILES CCOC(=O)N1CCC2(C1)CC(=O)c1cc(\C=C\C(=O)NO)ccc1O2
Show InChI InChI=1S/C18H20N2O6/c1-2-25-17(23)20-8-7-18(11-20)10-14(21)13-9-12(3-5-15(13)26-18)4-6-16(22)19-24/h3-6,9,24H,2,7-8,10-11H2,1H3,(H,19,22)/b6-4+
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50141139
PNG
(CHEMBL3759808)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(Cc1ccccc1)CC3
Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(11-4-13-26(14-12-24)17-19-5-2-1-3-6-19)30-22-9-7-18(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+
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European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141383
PNG
(CHEMBL3758604)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(C3)C(=O)c3ccccc3)CC(=O)c2c1
Show InChI InChI=1S/C23H22N2O5/c26-19-14-23(11-4-12-25(15-23)22(28)17-5-2-1-3-6-17)30-20-9-7-16(13-18(19)20)8-10-21(27)24-29/h1-3,5-10,13,29H,4,11-12,14-15H2,(H,24,27)/b10-8+
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n/an/a 165n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141141
PNG
(CHEMBL3758204)
Show SMILES CN1CC2(C1)CC(=O)c1cc(\C=C\C(=O)NO)ccc1O2
Show InChI InChI=1S/C15H16N2O4/c1-17-8-15(9-17)7-12(18)11-6-10(2-4-13(11)21-15)3-5-14(19)16-20/h2-6,20H,7-9H2,1H3,(H,16,19)/b5-3+
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n/an/a 168n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141367
PNG
(CHEMBL3758341)
Show SMILES Cn1cc(CN2CCCC3(C2)CC(=O)c2cc(\C=C\C(=O)NO)ccc2O3)c2ccccc12
Show InChI InChI=1S/C26H27N3O4/c1-28-15-19(20-5-2-3-6-22(20)28)16-29-12-4-11-26(17-29)14-23(30)21-13-18(7-9-24(21)33-26)8-10-25(31)27-32/h2-3,5-10,13,15,32H,4,11-12,14,16-17H2,1H3,(H,27,31)/b10-8+
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n/an/a 183n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141222
PNG
(CHEMBL3759066)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(C3)C(=O)c3ccccc3)CC(=O)c2c1
Show InChI InChI=1S/C22H20N2O5/c25-18-13-22(10-11-24(14-22)21(27)16-4-2-1-3-5-16)29-19-8-6-15(12-17(18)19)7-9-20(26)23-28/h1-9,12,28H,10-11,13-14H2,(H,23,26)/b9-7+
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n/an/a 187n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50435604
PNG
(CHEMBL2390995)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccc(F)cc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H23FN2O4/c24-18-5-1-17(2-6-18)15-26-11-9-23(10-12-26)14-20(27)19-13-16(3-7-21(19)30-23)4-8-22(28)25-29/h1-8,13,29H,9-12,14-15H2,(H,25,28)
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n/an/a 192n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 after 15 mins by fluorescence assay


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141183
PNG
(CHEMBL3758891)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccc(F)cc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C22H21FN2O4/c23-17-5-1-16(2-6-17)13-25-10-9-22(14-25)12-19(26)18-11-15(3-7-20(18)29-22)4-8-21(27)24-28/h1-8,11,28H,9-10,12-14H2,(H,24,27)/b8-4+
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n/an/a 196n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
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/a 197n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (human))
BDBM50435606
PNG
(CHEMBL2390996)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(CCc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C24H26N2O4/c27-21-17-24(11-14-26(15-12-24)13-10-18-4-2-1-3-5-18)30-22-8-6-19(16-20(21)22)7-9-23(28)25-29/h1-9,16,29H,10-15,17H2,(H,25,28)
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n/an/a 199n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 after 15 mins by fluorescence assay


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141225
PNG
(CHEMBL3758807)
Show SMILES CC(=O)N1CCCC2(C1)CC(=O)c1cc(\C=C\C(=O)NO)ccc1O2
Show InChI InChI=1S/C18H20N2O5/c1-12(21)20-8-2-7-18(11-20)10-15(22)14-9-13(3-5-16(14)25-18)4-6-17(23)19-24/h3-6,9,24H,2,7-8,10-11H2,1H3,(H,19,23)/b6-4+
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n/an/a 207n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141177
PNG
(CHEMBL3759583)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CN(CCc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(14-24(15-22)11-10-16-4-2-1-3-5-16)28-20-8-6-17(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+
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n/an/a 219n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141140
PNG
(CHEMBL3760005)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CNC3)CC(=O)c2c1
Show InChI InChI=1S/C14H14N2O4/c17-11-6-14(7-15-8-14)20-12-3-1-9(5-10(11)12)2-4-13(18)16-19/h1-5,15,19H,6-8H2,(H,16,18)/b4-2+
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n/an/a 228n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141227
PNG
(CHEMBL3759450)
Show SMILES CCOC(=O)N1CCCC2(C1)CC(=O)c1cc(\C=C\C(=O)NO)ccc1O2
Show InChI InChI=1S/C19H22N2O6/c1-2-26-18(24)21-9-3-8-19(12-21)11-15(22)14-10-13(4-6-16(14)27-19)5-7-17(23)20-25/h4-7,10,25H,2-3,8-9,11-12H2,1H3,(H,20,23)/b7-5+
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n/an/a 232n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141224
PNG
(CHEMBL3758219)
Show SMILES CN1CCCC2(C1)CC(=O)c1cc(\C=C\C(=O)NO)ccc1O2
Show InChI InChI=1S/C17H20N2O4/c1-19-8-2-7-17(11-19)10-14(20)13-9-12(3-5-15(13)23-17)4-6-16(21)18-22/h3-6,9,22H,2,7-8,10-11H2,1H3,(H,18,21)/b6-4+
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n/an/a 237n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141143
PNG
(CHEMBL3759250)
Show SMILES CCOC(=O)N1CC2(C1)CC(=O)c1cc(\C=C\C(=O)NO)ccc1O2
Show InChI InChI=1S/C17H18N2O6/c1-2-24-16(22)19-9-17(10-19)8-13(20)12-7-11(3-5-14(12)25-17)4-6-15(21)18-23/h3-7,23H,2,8-10H2,1H3,(H,18,21)/b6-4+
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n/an/a 286n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141598
PNG
(CHEMBL3760116)
Show SMILES CCOC(=O)N1CCCC2(CC(=O)c3cc(\C=C\C(=O)NO)ccc3O2)CC1
Show InChI InChI=1S/C20H24N2O6/c1-2-27-19(25)22-10-3-8-20(9-11-22)13-16(23)15-12-14(4-6-17(15)28-20)5-7-18(24)21-26/h4-7,12,26H,2-3,8-11,13H2,1H3,(H,21,24)/b7-5+
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n/an/a 300n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50435604
PNG
(CHEMBL2390995)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccc(F)cc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H23FN2O4/c24-18-5-1-17(2-6-18)15-26-11-9-23(10-12-26)14-20(27)19-13-16(3-7-21(19)30-23)4-8-22(28)25-29/h1-8,13,29H,9-12,14-15H2,(H,25,28)
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n/an/a 320n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 after 15 mins by fluorescence assay


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141391
PNG
(CHEMBL3759508)
Show SMILES CC(=O)N1CCCC2(CC(=O)c3cc(\C=C\C(=O)NO)ccc3O2)CC1
Show InChI InChI=1S/C19H22N2O5/c1-13(22)21-9-2-7-19(8-10-21)12-16(23)15-11-14(3-5-17(15)26-19)4-6-18(24)20-25/h3-6,11,25H,2,7-10,12H2,1H3,(H,20,24)/b6-4+
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n/an/a 323n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141142
PNG
(CHEMBL3759970)
Show SMILES CC(=O)N1CC2(C1)CC(=O)c1cc(\C=C\C(=O)NO)ccc1O2
Show InChI InChI=1S/C16H16N2O5/c1-10(19)18-8-16(9-18)7-13(20)12-6-11(2-4-14(12)23-16)3-5-15(21)17-22/h2-6,22H,7-9H2,1H3,(H,17,21)/b5-3+
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n/an/a 485n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50141181
PNG
(CHEMBL3759596)
Show SMILES CC(=O)N1CCC2(C1)CC(=O)c1cc(\C=C\C(=O)NO)ccc1O2
Show InChI InChI=1S/C17H18N2O5/c1-11(20)19-7-6-17(10-19)9-14(21)13-8-12(2-4-15(13)24-17)3-5-16(22)18-23/h2-5,8,23H,6-7,9-10H2,1H3,(H,18,22)/b5-3+
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n/an/a 955n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%