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Compile Data Set for Download or QSAR

Found 33 hits of ph data with Target = 'Histone Deacetylase 6 (HDAC6)'   
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 (HDAC6)


(Mus musculus)
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
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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PubMed
n/an/a 81n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19162
PNG
((3S,9S,14aR)-9-benzyl-3-(7-hydroxy-6-oxoheptyl)-6,...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)CO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C27H38N4O6/c1-27(2)26(37)29-21(16-18-10-5-3-6-11-18)25(36)31-15-9-14-22(31)24(35)28-20(23(34)30-27)13-8-4-7-12-19(33)17-32/h3,5-6,10-11,20-22,32H,4,7-9,12-17H2,1-2H3,(H,28,35)(H,29,37)(H,30,34)/t20-,21-,22+/m0/s1
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n/an/a 887n/an/an/an/a8.037



Kyushu Institute of Technology



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


Bioorg Med Chem 14: 3438-46 (2006)


Article DOI: 10.1016/j.bmc.2005.12.063
BindingDB Entry DOI: 10.7270/Q2P55KRB
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19132
PNG
(tert-butyl N-[(1S)-1-[(3-phenylphenyl)carbamoyl]-6...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C24H32N2O3S/c1-24(2,3)29-23(28)26-21(15-8-5-9-16-30)22(27)25-20-14-10-13-19(17-20)18-11-6-4-7-12-18/h4,6-7,10-14,17,21,30H,5,8-9,15-16H2,1-3H3,(H,25,27)(H,26,28)/t21-/m0/s1
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n/an/a 54n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19133
PNG
(tert-butyl N-[(1S)-1-(quinolin-3-ylcarbamoyl)-6-su...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C21H29N3O3S/c1-21(2,3)27-20(26)24-18(11-5-4-8-12-28)19(25)23-16-13-15-9-6-7-10-17(15)22-14-16/h6-7,9-10,13-14,18,28H,4-5,8,11-12H2,1-3H3,(H,23,25)(H,24,26)/t18-/m0/s1
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n/an/a 32n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19134
PNG
(CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1
Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1
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n/an/a 29n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19135
PNG
(CHEMBL209551 | tert-butyl N-[(1S)-1-(cyclohexylcar...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1
Show InChI InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
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n/an/a 36n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19136
PNG
(CHEMBL379049 | tert-butyl N-[(1S)-1-(cycloheptylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C19H36N2O3S/c1-19(2,3)24-18(23)21-16(13-9-6-10-14-25)17(22)20-15-11-7-4-5-8-12-15/h15-16,25H,4-14H2,1-3H3,(H,20,22)(H,21,23)/t16-/m0/s1
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n/an/a 23n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19137
PNG
(tert-butyl N-[(1S)-1-(tert-butylcarbamoyl)-6-sulfa...)
Show SMILES CC(C)(C)NC(=O)[C@H](CCCCCS)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C16H32N2O3S/c1-15(2,3)18-13(19)12(10-8-7-9-11-22)17-14(20)21-16(4,5)6/h12,22H,7-11H2,1-6H3,(H,17,20)(H,18,19)/t12-/m0/s1
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n/an/a 71n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19138
PNG
(tert-butyl N-[(1S)-1-(adamantan-1-ylcarbamoyl)-6-s...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H38N2O3S/c1-21(2,3)27-20(26)23-18(7-5-4-6-8-28)19(25)24-22-12-15-9-16(13-22)11-17(10-15)14-22/h15-18,28H,4-14H2,1-3H3,(H,23,26)(H,24,25)/t15?,16?,17?,18-,22?/m0/s1
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n/an/a 82n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19139
PNG
((2S)-2-amino-N-cyclopentyl-7-sulfanylheptanamide |...)
Show SMILES N[C@@H](CCCCCS)C(=O)NC1CCCC1
Show InChI InChI=1S/C12H24N2OS/c13-11(8-2-1-5-9-16)12(15)14-10-6-3-4-7-10/h10-11,16H,1-9,13H2,(H,14,15)/t11-/m0/s1
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n/an/a 3.86E+3n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19140
PNG
((2S)-N-cyclopentyl-2-(phenylformamido)-7-sulfanylh...)
Show SMILES SCCCCC[C@H](NC(=O)c1ccccc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H28N2O2S/c22-18(15-9-3-1-4-10-15)21-17(13-5-2-8-14-24)19(23)20-16-11-6-7-12-16/h1,3-4,9-10,16-17,24H,2,5-8,11-14H2,(H,20,23)(H,21,22)/t17-/m0/s1
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n/an/a 190n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19141
PNG
((2S)-2-[(4-chlorophenyl)formamido]-N-cyclopentyl-7...)
Show SMILES SCCCCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H27ClN2O2S/c20-15-11-9-14(10-12-15)18(23)22-17(8-2-1-5-13-25)19(24)21-16-6-3-4-7-16/h9-12,16-17,25H,1-8,13H2,(H,21,24)(H,22,23)/t17-/m0/s1
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n/an/a 510n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19142
PNG
((2S)-N-cyclopentyl-2-(2-hydroxyacetamido)-7-sulfan...)
Show SMILES OCC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1
Show InChI InChI=1S/C14H26N2O3S/c17-10-13(18)16-12(8-2-1-5-9-20)14(19)15-11-6-3-4-7-11/h11-12,17,20H,1-10H2,(H,15,19)(H,16,18)/t12-/m0/s1
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n/an/a 150n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19143
PNG
((2S)-N-cyclopentyl-2-(2,2-dimethylpropanamido)-7-s...)
Show SMILES CC(C)(C)C(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1
Show InChI InChI=1S/C17H32N2O2S/c1-17(2,3)16(21)19-14(11-5-4-8-12-22)15(20)18-13-9-6-7-10-13/h13-14,22H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1
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n/an/a 430n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19144
PNG
((2S)-2-[(tert-butylcarbamoyl)amino]-N-cyclopentyl-...)
Show SMILES CC(C)(C)NC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1
Show InChI InChI=1S/C17H33N3O2S/c1-17(2,3)20-16(22)19-14(11-5-4-8-12-23)15(21)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,21)(H2,19,20,22)/t14-/m0/s1
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n/an/a 100n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19145
PNG
((2S)-2-[(tert-butylcarbamothioyl)amino]-N-cyclopen...)
Show SMILES CC(C)(C)NC(=S)N[C@@H](CCCCCS)C(=O)NC1CCCC1
Show InChI InChI=1S/C17H33N3OS2/c1-17(2,3)20-16(23)19-14(11-5-4-8-12-22)15(21)18-13-9-6-7-10-13/h13-14,22H,4-12H2,1-3H3,(H,18,21)(H2,19,20,23)/t14-/m0/s1
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n/an/a 170n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19146
PNG
(methyl N-[(1S)-1-(cyclopentylcarbamoyl)-6-sulfanyl...)
Show SMILES COC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1
Show InChI InChI=1S/C14H26N2O3S/c1-19-14(18)16-12(9-3-2-6-10-20)13(17)15-11-7-4-5-8-11/h11-12,20H,2-10H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1
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n/an/a 120n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19147
PNG
(cyclohexyl N-[(1S)-1-(cyclopentylcarbamoyl)-6-sulf...)
Show SMILES SCCCCC[C@H](NC(=O)OC1CCCCC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H34N2O3S/c22-18(20-15-9-6-7-10-15)17(13-5-2-8-14-25)21-19(23)24-16-11-3-1-4-12-16/h15-17,25H,1-14H2,(H,20,22)(H,21,23)/t17-/m0/s1
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n/an/a 120n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19148
PNG
(benzyl N-[(1S)-1-(cyclopentylcarbamoyl)-6-sulfanyl...)
Show SMILES SCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C20H30N2O3S/c23-19(21-17-11-6-7-12-17)18(13-5-2-8-14-26)22-20(24)25-15-16-9-3-1-4-10-16/h1,3-4,9-10,17-18,26H,2,5-8,11-15H2,(H,21,23)(H,22,24)/t18-/m0/s1
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n/an/a 78n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
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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PubMed
n/an/a 196n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19151
PNG
((1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propa...)
Show SMILES C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C
Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
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n/an/a 787n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19152
PNG
((1S,7R,10S,16E,21R)-21-methyl-7-(propan-2-yl)-2-ox...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)CNC1=O
Show InChI InChI=1S/C20H30N4O6S2/c1-11(2)17-20(29)21-9-16(26)30-13-6-4-5-7-31-32-10-14(19(28)24-17)23-18(27)12(3)22-15(25)8-13/h4,6,11-14,17H,5,7-10H2,1-3H3,(H,21,29)(H,22,25)(H,23,27)(H,24,28)/b6-4+/t12-,13-,14-,17-/m1/s1
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n/an/a 881n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19153
PNG
((1S,7R,10S,16E,21R)-7,21-bis(propan-2-yl)-2-oxa-12...)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H]2OC(=O)CNC(=O)[C@H](NC(=O)[C@@H](CSSCC\C=C\2)NC1=O)C(C)C
Show InChI InChI=1S/C22H34N4O6S2/c1-12(2)18-21(30)23-10-17(28)32-14-7-5-6-8-33-34-11-15(20(29)26-18)24-22(31)19(13(3)4)25-16(27)9-14/h5,7,12-15,18-19H,6,8-11H2,1-4H3,(H,23,30)(H,24,31)(H,25,27)(H,26,29)/b7-5+/t14-,15-,18-,19-/m1/s1
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n/an/a 897n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19154
PNG
((6R,9R,12R,16R)-9,12-dimethyl-6-(propan-2-yl)-16-[...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H](OC(=O)CNC1=O)\C=C\CCS
Show InChI InChI=1S/C20H32N4O6S/c1-11(2)17-20(29)21-10-16(26)30-14(7-5-6-8-31)9-15(25)22-12(3)18(27)23-13(4)19(28)24-17/h5,7,11-14,17,31H,6,8-10H2,1-4H3,(H,21,29)(H,22,25)(H,23,27)(H,24,28)/b7-5+/t12-,13-,14?,17-/m1/s1
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n/an/a 4.92E+3n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19155
PNG
((6R,9S,12R,16R)-16-[(1E)-4-(acetylsulfanyl)but-1-e...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H](OC(=O)CNC1=O)\C=C\CCSC(C)=O
Show InChI InChI=1S/C22H34N4O7S/c1-12(2)19-22(32)23-11-18(29)33-16(8-6-7-9-34-15(5)27)10-17(28)24-13(3)20(30)25-14(4)21(31)26-19/h6,8,12-14,16,19H,7,9-11H2,1-5H3,(H,23,32)(H,24,28)(H,25,30)(H,26,31)/b8-6+/t13-,14+,16?,19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
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
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 28n/an/an/an/a8.037



Kyushu Institute of Technology



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


Bioorg Med Chem 14: 3438-46 (2006)


Article DOI: 10.1016/j.bmc.2005.12.063
BindingDB Entry DOI: 10.7270/Q2P55KRB
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19156
PNG
((3S,9S,14aR)-9-benzyl-3-(hept-6-en-1-yl)-6,6-dimet...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C27H38N4O4/c1-4-5-6-7-11-15-20-23(32)30-27(2,3)26(35)29-21(18-19-13-9-8-10-14-19)25(34)31-17-12-16-22(31)24(33)28-20/h4,8-10,13-14,20-22H,1,5-7,11-12,15-18H2,2-3H3,(H,28,33)(H,29,35)(H,30,32)/t20-,21-,22+/m0/s1
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n/an/a>1.00E+5n/an/an/an/a8.037



Kyushu Institute of Technology



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


Bioorg Med Chem 14: 3438-46 (2006)


Article DOI: 10.1016/j.bmc.2005.12.063
BindingDB Entry DOI: 10.7270/Q2P55KRB
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19157
PNG
((3S,9S,14aR)-9-benzyl-6,6-dimethyl-3-[5-(oxiran-2-...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCC2CO2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C27H38N4O5/c1-27(2)26(35)29-21(16-18-10-5-3-6-11-18)25(34)31-15-9-14-22(31)24(33)28-20(23(32)30-27)13-8-4-7-12-19-17-36-19/h3,5-6,10-11,19-22H,4,7-9,12-17H2,1-2H3,(H,28,33)(H,29,35)(H,30,32)/t19?,20-,21-,22+/m0/s1
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n/an/a>1.00E+5n/an/an/an/a8.037



Kyushu Institute of Technology



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


Bioorg Med Chem 14: 3438-46 (2006)


Article DOI: 10.1016/j.bmc.2005.12.063
BindingDB Entry DOI: 10.7270/Q2P55KRB
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19158
PNG
((3S,9S,14aR)-9-benzyl-3-(7-bromo-6-oxoheptyl)-6,6-...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)CBr)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C27H37BrN4O5/c1-27(2)26(37)30-21(16-18-10-5-3-6-11-18)25(36)32-15-9-14-22(32)24(35)29-20(23(34)31-27)13-8-4-7-12-19(33)17-28/h3,5-6,10-11,20-22H,4,7-9,12-17H2,1-2H3,(H,29,35)(H,30,37)(H,31,34)/t20-,21-,22+/m0/s1
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n/an/a 621n/an/an/an/a8.037



Kyushu Institute of Technology



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


Bioorg Med Chem 14: 3438-46 (2006)


Article DOI: 10.1016/j.bmc.2005.12.063
BindingDB Entry DOI: 10.7270/Q2P55KRB
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19159
PNG
((3S,9S,14aR)-9-benzyl-6,6-dimethyl-3-(6-oxoheptyl)...)
Show SMILES CC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC1=O
Show InChI InChI=1S/C27H38N4O5/c1-18(32)11-6-4-9-14-20-23(33)30-27(2,3)26(36)29-21(17-19-12-7-5-8-13-19)25(35)31-16-10-15-22(31)24(34)28-20/h5,7-8,12-13,20-22H,4,6,9-11,14-17H2,1-3H3,(H,28,34)(H,29,36)(H,30,33)/t20-,21-,22+/m0/s1
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n/an/a 3.70E+3n/an/an/an/a8.037



Kyushu Institute of Technology



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


Bioorg Med Chem 14: 3438-46 (2006)


Article DOI: 10.1016/j.bmc.2005.12.063
BindingDB Entry DOI: 10.7270/Q2P55KRB
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19160
PNG
((3S,9S,14aR)-9-benzyl-3-(6,7-dihydroxyheptyl)-6,6-...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(O)CO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C27H40N4O6/c1-27(2)26(37)29-21(16-18-10-5-3-6-11-18)25(36)31-15-9-14-22(31)24(35)28-20(23(34)30-27)13-8-4-7-12-19(33)17-32/h3,5-6,10-11,19-22,32-33H,4,7-9,12-17H2,1-2H3,(H,28,35)(H,29,37)(H,30,34)/t19?,20-,21-,22+/m0/s1
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n/an/a>1.00E+5n/an/an/an/a8.037



Kyushu Institute of Technology



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


Bioorg Med Chem 14: 3438-46 (2006)


Article DOI: 10.1016/j.bmc.2005.12.063
BindingDB Entry DOI: 10.7270/Q2P55KRB
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19161
PNG
(6-[(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tet...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCC=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C26H36N4O5/c1-26(2)25(35)28-20(17-18-11-6-5-7-12-18)24(34)30-15-10-14-21(30)23(33)27-19(22(32)29-26)13-8-3-4-9-16-31/h5-7,11-12,16,19-21H,3-4,8-10,13-15,17H2,1-2H3,(H,27,33)(H,28,35)(H,29,32)/t19-,20-,21+/m0/s1
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n/an/a 1.41E+4n/an/an/an/a8.037



Kyushu Institute of Technology



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


Bioorg Med Chem 14: 3438-46 (2006)


Article DOI: 10.1016/j.bmc.2005.12.063
BindingDB Entry DOI: 10.7270/Q2P55KRB
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19131
PNG
(CHEMBL419758 | JMC505425 Compound 7 | N-(4-phenyl-...)
Show SMILES SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19)
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n/an/a 41n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair