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PubMed code 19419205

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 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 28n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50250101
PNG
((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(thiazole-5-car...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H26BN3O4S/c28-22(26-19-11-7-10-18(14-19)17-8-3-1-4-9-17)20(12-5-2-6-13-24(30)31)27-23(29)21-15-25-16-32-21/h1,3-4,7-11,14-16,20,30-31H,2,5-6,12-13H2,(H,26,28)(H,27,29)/t20-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
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 250n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50250099
PNG
((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 350n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50250101
PNG
((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(thiazole-5-car...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H26BN3O4S/c28-22(26-19-11-7-10-18(14-19)17-8-3-1-4-9-17)20(12-5-2-6-13-24(30)31)27-23(29)21-15-25-16-32-21/h1,3-4,7-11,14-16,20,30-31H,2,5-6,12-13H2,(H,26,28)(H,27,29)/t20-/m0/s1
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n/an/a 530n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50250099
PNG
((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50249973
PNG
((S)-6-(Benzenecarbonylamino)-7-(biphenyl-3-ylamino...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H29BN2O4/c30-25(21-13-6-2-7-14-21)29-24(17-8-3-9-18-27(32)33)26(31)28-23-16-10-15-22(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24,32-33H,3,8-9,17-18H2,(H,28,31)(H,29,30)/t24-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
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 1.70E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50250101
PNG
((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(thiazole-5-car...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H26BN3O4S/c28-22(26-19-11-7-10-18(14-19)17-8-3-1-4-9-17)20(12-5-2-6-13-24(30)31)27-23(29)21-15-25-16-32-21/h1,3-4,7-11,14-16,20,30-31H,2,5-6,12-13H2,(H,26,28)(H,27,29)/t20-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50250099
PNG
((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50249973
PNG
((S)-6-(Benzenecarbonylamino)-7-(biphenyl-3-ylamino...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H29BN2O4/c30-25(21-13-6-2-7-14-21)29-24(17-8-3-9-18-27(32)33)26(31)28-23-16-10-15-22(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24,32-33H,3,8-9,17-18H2,(H,28,31)(H,29,30)/t24-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50250151
PNG
((R)-7-(Biphenyl-3-ylamino)-7-oxo-6-(thiazole-5-car...)
Show SMILES OB(O)CCCCC[C@@H](NC(=O)c1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H26BN3O4S/c28-22(26-19-11-7-10-18(14-19)17-8-3-1-4-9-17)20(12-5-2-6-13-24(30)31)27-23(29)21-15-25-16-32-21/h1,3-4,7-11,14-16,20,30-31H,2,5-6,12-13H2,(H,26,28)(H,27,29)/t20-/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50250101
PNG
((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(thiazole-5-car...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H26BN3O4S/c28-22(26-19-11-7-10-18(14-19)17-8-3-1-4-9-17)20(12-5-2-6-13-24(30)31)27-23(29)21-15-25-16-32-21/h1,3-4,7-11,14-16,20,30-31H,2,5-6,12-13H2,(H,26,28)(H,27,29)/t20-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50249973
PNG
((S)-6-(Benzenecarbonylamino)-7-(biphenyl-3-ylamino...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H29BN2O4/c30-25(21-13-6-2-7-14-21)29-24(17-8-3-9-18-27(32)33)26(31)28-23-16-10-15-22(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24,32-33H,3,8-9,17-18H2,(H,28,31)(H,29,30)/t24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50250100
PNG
((R)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...)
Show SMILES OB(O)CCCCC[C@@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50250099
PNG
((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50250098
PNG
((R)-6-(Benzenecarbonylamino)-7-(biphenyl-3-ylamino...)
Show SMILES OB(O)CCCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H29BN2O4/c30-25(21-13-6-2-7-14-21)29-24(17-8-3-9-18-27(32)33)26(31)28-23-16-10-15-22(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24,32-33H,3,8-9,17-18H2,(H,28,31)(H,29,30)/t24-/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50250100
PNG
((R)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...)
Show SMILES OB(O)CCCCC[C@@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m1/s1
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n/an/a 9.90E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50250151
PNG
((R)-7-(Biphenyl-3-ylamino)-7-oxo-6-(thiazole-5-car...)
Show SMILES OB(O)CCCCC[C@@H](NC(=O)c1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H26BN3O4S/c28-22(26-19-11-7-10-18(14-19)17-8-3-1-4-9-17)20(12-5-2-6-13-24(30)31)27-23(29)21-15-25-16-32-21/h1,3-4,7-11,14-16,20,30-31H,2,5-6,12-13H2,(H,26,28)(H,27,29)/t20-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50250151
PNG
((R)-7-(Biphenyl-3-ylamino)-7-oxo-6-(thiazole-5-car...)
Show SMILES OB(O)CCCCC[C@@H](NC(=O)c1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H26BN3O4S/c28-22(26-19-11-7-10-18(14-19)17-8-3-1-4-9-17)20(12-5-2-6-13-24(30)31)27-23(29)21-15-25-16-32-21/h1,3-4,7-11,14-16,20,30-31H,2,5-6,12-13H2,(H,26,28)(H,27,29)/t20-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50250100
PNG
((R)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...)
Show SMILES OB(O)CCCCC[C@@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50250098
PNG
((R)-6-(Benzenecarbonylamino)-7-(biphenyl-3-ylamino...)
Show SMILES OB(O)CCCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H29BN2O4/c30-25(21-13-6-2-7-14-21)29-24(17-8-3-9-18-27(32)33)26(31)28-23-16-10-15-22(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24,32-33H,3,8-9,17-18H2,(H,28,31)(H,29,30)/t24-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50250151
PNG
((R)-7-(Biphenyl-3-ylamino)-7-oxo-6-(thiazole-5-car...)
Show SMILES OB(O)CCCCC[C@@H](NC(=O)c1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H26BN3O4S/c28-22(26-19-11-7-10-18(14-19)17-8-3-1-4-9-17)20(12-5-2-6-13-24(30)31)27-23(29)21-15-25-16-32-21/h1,3-4,7-11,14-16,20,30-31H,2,5-6,12-13H2,(H,26,28)(H,27,29)/t20-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50249973
PNG
((S)-6-(Benzenecarbonylamino)-7-(biphenyl-3-ylamino...)
Show SMILES OB(O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H29BN2O4/c30-25(21-13-6-2-7-14-21)29-24(17-8-3-9-18-27(32)33)26(31)28-23-16-10-15-22(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24,32-33H,3,8-9,17-18H2,(H,28,31)(H,29,30)/t24-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50250100
PNG
((R)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...)
Show SMILES OB(O)CCCCC[C@@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50250098
PNG
((R)-6-(Benzenecarbonylamino)-7-(biphenyl-3-ylamino...)
Show SMILES OB(O)CCCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H29BN2O4/c30-25(21-13-6-2-7-14-21)29-24(17-8-3-9-18-27(32)33)26(31)28-23-16-10-15-22(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24,32-33H,3,8-9,17-18H2,(H,28,31)(H,29,30)/t24-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50250098
PNG
((R)-6-(Benzenecarbonylamino)-7-(biphenyl-3-ylamino...)
Show SMILES OB(O)CCCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H29BN2O4/c30-25(21-13-6-2-7-14-21)29-24(17-8-3-9-18-27(32)33)26(31)28-23-16-10-15-22(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24,32-33H,3,8-9,17-18H2,(H,28,31)(H,29,30)/t24-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by fluorometry


J Med Chem 52: 2909-22 (2009)


Article DOI: 10.1021/jm900125m
BindingDB Entry DOI: 10.7270/Q2HH6JZW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%