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Compile Data Set for Download or QSAR

Found 184 hits with Last Name = 'savoy' and Initial = 'dn'   
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 1n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50312620
PNG
(CHEMBL1094708 | Octanedioic Acid-{3-[1-(3-Aminophe...)
Show SMILES Nc1ccc(cc1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1
Show InChI InChI=1S/C22H26N6O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9,23H2,(H,24,29)(H,26,30)
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n/an/a 1.01n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24347
PNG
(N-hydroxy-N'-[4-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(10-6-1-2-7-11-22(29)25-30)23-18-14-12-17(13-15-18)20-16-27(26-24-20)19-8-4-3-5-9-19/h3-5,8-9,12-16,30H,1-2,6-7,10-11H2,(H,23,28)(H,25,29)
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n/an/a 1.30n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50312621
PNG
(CHEMBL1091815 | Octanedioic Acid-{3-[1-(3,5-Difluo...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H23F2N5O3/c23-16-11-17(24)13-19(12-16)29-14-20(26-28-29)15-6-5-7-18(10-15)25-21(30)8-3-1-2-4-9-22(31)27-32/h5-7,10-14,32H,1-4,8-9H2,(H,25,30)(H,27,31)
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n/an/a 1.40n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50312620
PNG
(CHEMBL1094708 | Octanedioic Acid-{3-[1-(3-Aminophe...)
Show SMILES Nc1ccc(cc1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1
Show InChI InChI=1S/C22H26N6O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9,23H2,(H,24,29)(H,26,30)
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n/an/a 1.55n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50312622
PNG
(CHEMBL1088735 | Octanedioic Acid Hydroxyamide-{3-[...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(O)cc2)nn1
Show InChI InChI=1S/C23H27N5O4/c29-20-12-10-17(11-13-20)15-28-16-21(25-27-28)18-6-5-7-19(14-18)24-22(30)8-3-1-2-4-9-23(31)26-32/h5-7,10-14,16,29,32H,1-4,8-9,15H2,(H,24,30)(H,26,31)
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n/an/a 1.66n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50312621
PNG
(CHEMBL1091815 | Octanedioic Acid-{3-[1-(3,5-Difluo...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H23F2N5O3/c23-16-11-17(24)13-19(12-16)29-14-20(26-28-29)15-6-5-7-18(10-15)25-21(30)8-3-1-2-4-9-22(31)27-32/h5-7,10-14,32H,1-4,8-9H2,(H,25,30)(H,27,31)
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n/an/a 1.70n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24346
PNG
(N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)15-29-16-21(26-28-29)18-9-13-20(14-10-18)25-22(30)5-3-1-2-4-6-23(31)27-32/h7-14,16,32H,1-6,15H2,(H,25,30)(H,27,31)
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n/an/a 1.90n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50312629
PNG
(CHEMBL1088736 | Octanedioic Acid-{3-[1-(3,5-Bis(hy...)
Show SMILES OCc1cc(CO)cc(c1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1
Show InChI InChI=1S/C24H29N5O5/c30-15-17-10-18(16-31)12-21(11-17)29-14-22(26-28-29)19-6-5-7-20(13-19)25-23(32)8-3-1-2-4-9-24(33)27-34/h5-7,10-14,30-31,34H,1-4,8-9,15-16H2,(H,25,32)(H,27,33)
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n/an/a 1.90n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24352
PNG
(N-(3-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(CC(O)c2cccc(Br)c2)nn1
Show InChI InChI=1S/C24H28BrN5O4/c25-19-9-5-8-18(13-19)22(31)16-30-15-21(27-29-30)17-7-6-10-20(14-17)26-23(32)11-3-1-2-4-12-24(33)28-34/h5-10,13-15,22,31,34H,1-4,11-12,16H2,(H,26,32)(H,28,33)
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n/an/a 1.90n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 3


(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 2n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 3


(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 2n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50312624
PNG
(CHEMBL1091475 | Octanedioic Acid Hydroxyamide-{3-[...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(I)cc1
Show InChI InChI=1S/C22H24IN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)
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n/an/a 2.20n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50312620
PNG
(CHEMBL1094708 | Octanedioic Acid-{3-[1-(3-Aminophe...)
Show SMILES Nc1ccc(cc1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1
Show InChI InChI=1S/C22H26N6O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9,23H2,(H,24,29)(H,26,30)
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n/an/a 2.52n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24350
PNG
(N-(3-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-12-10-17(11-13-19)15-29-16-21(26-28-29)18-6-5-7-20(14-18)25-22(30)8-3-1-2-4-9-23(31)27-32/h5-7,10-14,16,32H,1-4,8-9,15H2,(H,25,30)(H,27,31)
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n/an/a 2.60n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM24352
PNG
(N-(3-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(CC(O)c2cccc(Br)c2)nn1
Show InChI InChI=1S/C24H28BrN5O4/c25-19-9-5-8-18(13-19)22(31)16-30-15-21(27-29-30)17-7-6-10-20(14-17)26-23(32)11-3-1-2-4-12-24(33)28-34/h5-10,13-15,22,31,34H,1-4,11-12,16H2,(H,26,32)(H,28,33)
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n/an/a 2.70n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24360
PNG
(N-(3-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1CC(O)c1cccc(Br)c1
Show InChI InChI=1S/C24H28BrN5O4/c25-19-9-5-8-18(13-19)22(31)16-30-21(15-26-29-30)17-7-6-10-20(14-17)27-23(32)11-3-1-2-4-12-24(33)28-34/h5-10,13-15,22,31,34H,1-4,11-12,16H2,(H,27,32)(H,28,33)
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n/an/a 2.80n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50312628
PNG
(CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 2.80n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50312626
PNG
(CHEMBL1088734 | Octanedioic Acid Hydroxyamide-{3-[...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O3/c24-23(25,26)17-10-12-19(13-11-17)31-15-20(28-30-31)16-6-5-7-18(14-16)27-21(32)8-3-1-2-4-9-22(33)29-34/h5-7,10-15,34H,1-4,8-9H2,(H,27,32)(H,29,33)
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n/an/a 2.90n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50312624
PNG
(CHEMBL1091475 | Octanedioic Acid Hydroxyamide-{3-[...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(I)cc1
Show InChI InChI=1S/C22H24IN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)
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n/an/a 3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50312622
PNG
(CHEMBL1088735 | Octanedioic Acid Hydroxyamide-{3-[...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(O)cc2)nn1
Show InChI InChI=1S/C23H27N5O4/c29-20-12-10-17(11-13-20)15-28-16-21(25-27-28)18-6-5-7-19(14-18)24-22(30)8-3-1-2-4-9-23(31)26-32/h5-7,10-14,16,29,32H,1-4,8-9,15H2,(H,24,30)(H,26,31)
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n/an/a 3.04n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24349
PNG
(N-[3-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl]-N'-hy...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C23H27N5O3/c29-22(13-6-1-2-7-14-23(30)26-31)24-20-12-8-11-19(15-20)21-17-28(27-25-21)16-18-9-4-3-5-10-18/h3-5,8-12,15,17,31H,1-2,6-7,13-14,16H2,(H,24,29)(H,26,30)
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n/an/a 3.10n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24353
PNG
(N-[4-(1-benzyl-1H-1,2,3-triazol-5-yl)phenyl]-N'-hy...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cnnn1Cc1ccccc1
Show InChI InChI=1S/C23H27N5O3/c29-22(10-6-1-2-7-11-23(30)26-31)25-20-14-12-19(13-15-20)21-16-24-27-28(21)17-18-8-4-3-5-9-18/h3-5,8-9,12-16,31H,1-2,6-7,10-11,17H2,(H,25,29)(H,26,30)
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n/an/a 3.10n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50312628
PNG
(CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 3.10n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50312629
PNG
(CHEMBL1088736 | Octanedioic Acid-{3-[1-(3,5-Bis(hy...)
Show SMILES OCc1cc(CO)cc(c1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1
Show InChI InChI=1S/C24H29N5O5/c30-15-17-10-18(16-31)12-21(11-17)29-14-22(26-28-29)19-6-5-7-20(13-19)25-23(32)8-3-1-2-4-9-24(33)27-34/h5-7,10-14,30-31,34H,1-4,8-9,15-16H2,(H,25,32)(H,27,33)
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n/an/a 3.30n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24357
PNG
(N-[3-(1-benzyl-1H-1,2,3-triazol-5-yl)phenyl]-N'-hy...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1Cc1ccccc1
Show InChI InChI=1S/C23H27N5O3/c29-22(13-6-1-2-7-14-23(30)26-31)25-20-12-8-11-19(15-20)21-16-24-27-28(21)17-18-9-4-3-5-10-18/h3-5,8-12,15-16,31H,1-2,6-7,13-14,17H2,(H,25,29)(H,26,30)
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n/an/a 3.30n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50312627
PNG
(CHEMBL1094707 | Octanedioic Acid-[3-(1-Cyclohexyl-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)C1CCCCC1
Show InChI InChI=1S/C22H31N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h8-10,15-16,19,30H,1-7,11-14H2,(H,23,28)(H,25,29)
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n/an/a 3.30n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50312623
PNG
(CHEMBL1076939 | Octanedioic Acid-{3-[1-(3-Fluoro-4...)
Show SMILES COc1cc(ccc1F)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1
Show InChI InChI=1S/C23H26FN5O4/c1-33-21-14-18(11-12-19(21)24)29-15-20(26-28-29)16-7-6-8-17(13-16)25-22(30)9-4-2-3-5-10-23(31)27-32/h6-8,11-15,32H,2-5,9-10H2,1H3,(H,25,30)(H,27,31)
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n/an/a 3.39n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50312626
PNG
(CHEMBL1088734 | Octanedioic Acid Hydroxyamide-{3-[...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O3/c24-23(25,26)17-10-12-19(13-11-17)31-15-20(28-30-31)16-6-5-7-18(14-16)27-21(32)8-3-1-2-4-9-22(33)29-34/h5-7,10-15,34H,1-4,8-9H2,(H,27,32)(H,29,33)
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n/an/a 3.40n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24355
PNG
(N-hydroxy-N'-[4-(1-phenyl-1H-1,2,3-triazol-5-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cnnn1-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(10-6-1-2-7-11-22(29)25-30)24-18-14-12-17(13-15-18)20-16-23-26-27(20)19-8-4-3-5-9-19/h3-5,8-9,12-16,30H,1-2,6-7,10-11H2,(H,24,28)(H,25,29)
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n/an/a 3.5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50312627
PNG
(CHEMBL1094707 | Octanedioic Acid-[3-(1-Cyclohexyl-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)C1CCCCC1
Show InChI InChI=1S/C22H31N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h8-10,15-16,19,30H,1-7,11-14H2,(H,23,28)(H,25,29)
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n/an/a 3.70n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24358
PNG
(N-(3-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H26FN5O3/c24-19-12-10-17(11-13-19)16-29-21(15-25-28-29)18-6-5-7-20(14-18)26-22(30)8-3-1-2-4-9-23(31)27-32/h5-7,10-15,32H,1-4,8-9,16H2,(H,26,30)(H,27,31)
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n/an/a 3.80n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50312623
PNG
(CHEMBL1076939 | Octanedioic Acid-{3-[1-(3-Fluoro-4...)
Show SMILES COc1cc(ccc1F)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1
Show InChI InChI=1S/C23H26FN5O4/c1-33-21-14-18(11-12-19(21)24)29-15-20(26-28-29)16-7-6-8-17(13-16)25-22(30)9-4-2-3-5-10-23(31)27-32/h6-8,11-15,32H,2-5,9-10H2,1H3,(H,25,30)(H,27,31)
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n/an/a 3.85n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
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 4n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM24350
PNG
(N-(3-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-12-10-17(11-13-19)15-29-16-21(26-28-29)18-6-5-7-20(14-18)25-22(30)8-3-1-2-4-9-23(31)27-32/h5-7,10-14,16,32H,1-4,8-9,15H2,(H,25,30)(H,27,31)
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n/an/a 4n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
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 4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24356
PNG
(N-(4-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cnnn1CC(O)c1cccc(Br)c1
Show InChI InChI=1S/C24H28BrN5O4/c25-19-7-5-6-18(14-19)22(31)16-30-21(15-26-29-30)17-10-12-20(13-11-17)27-23(32)8-3-1-2-4-9-24(33)28-34/h5-7,10-15,22,31,34H,1-4,8-9,16H2,(H,27,32)(H,28,33)
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n/an/a 4.20n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM24360
PNG
(N-(3-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1CC(O)c1cccc(Br)c1
Show InChI InChI=1S/C24H28BrN5O4/c25-19-9-5-8-18(13-19)22(31)16-30-21(15-26-29-30)17-7-6-10-20(14-17)27-23(32)11-3-1-2-4-12-24(33)28-34/h5-10,13-15,22,31,34H,1-4,11-12,16H2,(H,27,32)(H,28,33)
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n/an/a 4.20n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50312630
PNG
(CHEMBL1094710 | Octanedioic Acid-[3-(4-Cyclohexyl-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)C1CCCCC1
Show InChI InChI=1S/C22H31N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h8,11-12,15-17,30H,1-7,9-10,13-14H2,(H,23,28)(H,25,29)
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n/an/a 4.30n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24348
PNG
(N-(4-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(CC(O)c2cccc(Br)c2)nn1
Show InChI InChI=1S/C24H28BrN5O4/c25-19-7-5-6-18(14-19)22(31)16-30-15-21(27-29-30)17-10-12-20(13-11-17)26-23(32)8-3-1-2-4-9-24(33)28-34/h5-7,10-15,22,31,34H,1-4,8-9,16H2,(H,26,32)(H,28,33)
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n/an/a 4.40n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM24357
PNG
(N-[3-(1-benzyl-1H-1,2,3-triazol-5-yl)phenyl]-N'-hy...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1Cc1ccccc1
Show InChI InChI=1S/C23H27N5O3/c29-22(13-6-1-2-7-14-23(30)26-31)25-20-12-8-11-19(15-20)21-16-24-27-28(21)17-18-9-4-3-5-10-18/h3-5,8-12,15-16,31H,1-2,6-7,13-14,17H2,(H,25,29)(H,26,30)
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n/an/a 4.5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50312628
PNG
(CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 4.60n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24345
PNG
(N-[4-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl]-N'-hy...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C23H27N5O3/c29-22(10-6-1-2-7-11-23(30)26-31)24-20-14-12-19(13-15-20)21-17-28(27-25-21)16-18-8-4-3-5-9-18/h3-5,8-9,12-15,17,31H,1-2,6-7,10-11,16H2,(H,24,29)(H,26,30)
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n/an/a 4.80n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(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 5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(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 5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50312623
PNG
(CHEMBL1076939 | Octanedioic Acid-{3-[1-(3-Fluoro-4...)
Show SMILES COc1cc(ccc1F)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1
Show InChI InChI=1S/C23H26FN5O4/c1-33-21-14-18(11-12-19(21)24)29-15-20(26-28-29)16-7-6-8-17(13-16)25-22(30)9-4-2-3-5-10-23(31)27-32/h6-8,11-15,32H,2-5,9-10H2,1H3,(H,25,30)(H,27,31)
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n/an/a 5.06n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50312621
PNG
(CHEMBL1091815 | Octanedioic Acid-{3-[1-(3,5-Difluo...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H23F2N5O3/c23-16-11-17(24)13-19(12-16)29-14-20(26-28-29)15-6-5-7-18(10-15)25-21(30)8-3-1-2-4-9-22(31)27-32/h5-7,10-14,32H,1-4,8-9H2,(H,25,30)(H,27,31)
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n/an/a 5.30n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50312630
PNG
(CHEMBL1094710 | Octanedioic Acid-[3-(4-Cyclohexyl-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)C1CCCCC1
Show InChI InChI=1S/C22H31N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h8,11-12,15-17,30H,1-7,9-10,13-14H2,(H,23,28)(H,25,29)
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n/an/a 5.30n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50312629
PNG
(CHEMBL1088736 | Octanedioic Acid-{3-[1-(3,5-Bis(hy...)
Show SMILES OCc1cc(CO)cc(c1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1
Show InChI InChI=1S/C24H29N5O5/c30-15-17-10-18(16-31)12-21(11-17)29-14-22(26-28-29)19-6-5-7-20(13-19)25-23(32)8-3-1-2-4-9-24(33)27-34/h5-7,10-14,30-31,34H,1-4,8-9,15-16H2,(H,25,32)(H,27,33)
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n/an/a 5.70n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
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