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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'marek' and Initial = 'l'   
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))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 1.5n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50424998
PNG
(CHEMBL2312164)
Show SMILES Cc1cccc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C14H20N2O4/c1-11-6-5-7-12(10-11)14(18)16-20-9-4-2-3-8-13(17)15-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)
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n/an/a 2.30n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50239858
PNG
(CHEMBL4067006)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nc(OC)cc(C)c2c1
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n/an/a 2.80n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50424996
PNG
(CHEMBL2312168)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 4.20n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50239857
PNG
(CHEMBL4070745)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1
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n/an/a 6.10n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 11n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50424996
PNG
(CHEMBL2312168)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 12n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50424998
PNG
(CHEMBL2312164)
Show SMILES Cc1cccc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C14H20N2O4/c1-11-6-5-7-12(10-11)14(18)16-20-9-4-2-3-8-13(17)15-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)
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n/an/a 16n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 18n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50239859
PNG
(CHEMBL4088276)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nccc(C)c2c1
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n/an/a 25n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50424998
PNG
(CHEMBL2312164)
Show SMILES Cc1cccc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C14H20N2O4/c1-11-6-5-7-12(10-11)14(18)16-20-9-4-2-3-8-13(17)15-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)
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n/an/a 27n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 31n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 32n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 33n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50239858
PNG
(CHEMBL4067006)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nc(OC)cc(C)c2c1
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n/an/a 43n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
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 45n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50239856
PNG
(CHEMBL2311793)
Show SMILES ONC(=O)CCCCCONC(=O)Nc1cnc2ccccc2c1
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n/an/a 52n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50239857
PNG
(CHEMBL4070745)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1
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n/an/a 52n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50424996
PNG
(CHEMBL2312168)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 56n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50239859
PNG
(CHEMBL4088276)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nccc(C)c2c1
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n/an/a 77n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 83n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(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 108n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
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 160n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50239856
PNG
(CHEMBL2311793)
Show SMILES ONC(=O)CCCCCONC(=O)Nc1cnc2ccccc2c1
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n/an/a 189n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 196n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 320n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50424996
PNG
(CHEMBL2312168)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 320n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 320n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50424998
PNG
(CHEMBL2312164)
Show SMILES Cc1cccc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C14H20N2O4/c1-11-6-5-7-12(10-11)14(18)16-20-9-4-2-3-8-13(17)15-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)
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n/an/a 341n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50239860
PNG
(CHEMBL4081343)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NCC1(CCOCC1)c1cnc(s1)-c1ccccc1
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n/an/a 447n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 11


(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 480n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 833n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50424996
PNG
(CHEMBL2312168)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 852n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50424996
PNG
(CHEMBL2312168)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 881n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
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 920n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 944n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 8


(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 960n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 997n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50424998
PNG
(CHEMBL2312164)
Show SMILES Cc1cccc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C14H20N2O4/c1-11-6-5-7-12(10-11)14(18)16-20-9-4-2-3-8-13(17)15-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50239857
PNG
(CHEMBL4070745)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50239859
PNG
(CHEMBL4088276)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nccc(C)c2c1
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n/an/a 1.22E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50424996
PNG
(CHEMBL2312168)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 1.28E+3n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50424998
PNG
(CHEMBL2312164)
Show SMILES Cc1cccc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C14H20N2O4/c1-11-6-5-7-12(10-11)14(18)16-20-9-4-2-3-8-13(17)15-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50239858
PNG
(CHEMBL4067006)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nc(OC)cc(C)c2c1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50424998
PNG
(CHEMBL2312164)
Show SMILES Cc1cccc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C14H20N2O4/c1-11-6-5-7-12(10-11)14(18)16-20-9-4-2-3-8-13(17)15-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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MMDB
PC cid
PC sid
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Article
PubMed
n/an/a 6.16E+3n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PubMed
n/an/a 8.44E+3n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50239857
PNG
(CHEMBL4070745)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50239859
PNG
(CHEMBL4088276)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nccc(C)c2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL




J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
More data for this
Ligand-Target Pair
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