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PubMed code 19084395

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase


(Homo sapiens (human))
BDBM50277188
PNG
(CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24)
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n/an/a 9n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277188
PNG
(CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24)
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n/an/a 9n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277329
PNG
((S)-benzyl 1-(6-methoxyquinolin-8-ylamino)-1-oxo-6...)
Show SMILES COc1cc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)c2ncccc2c1
Show InChI InChI=1S/C24H29N5O6S/c1-34-19-14-18-10-7-12-26-22(18)21(15-19)28-23(30)20(11-5-6-13-27-36(25,32)33)29-24(31)35-16-17-8-3-2-4-9-17/h2-4,7-10,12,14-15,20,27H,5-6,11,13,16H2,1H3,(H,28,30)(H,29,31)(H2,25,32,33)/t20-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
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 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (human))
BDBM50256888
PNG
((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50256888
PNG
((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 200n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277289
PNG
(CHEMBL507114 | N-(quinolin-8-yl)-6-(sulfamoylamino...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H20N4O3S/c16-23(21,22)18-11-3-1-2-9-14(20)19-13-8-4-6-12-7-5-10-17-15(12)13/h4-8,10,18H,1-3,9,11H2,(H,19,20)(H2,16,21,22)
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n/an/a 390n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277292
PNG
(CHEMBL515295 | N-(6-methoxyquinolin-8-yl)-6-(sulfa...)
Show SMILES COc1cc(NC(=O)CCCCCNS(N)(=O)=O)c2ncccc2c1
Show InChI InChI=1S/C16H22N4O4S/c1-24-13-10-12-6-5-8-18-16(12)14(11-13)20-15(21)7-3-2-4-9-19-25(17,22)23/h5-6,8,10-11,19H,2-4,7,9H2,1H3,(H,20,21)(H2,17,22,23)
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n/an/a 440n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277329
PNG
((S)-benzyl 1-(6-methoxyquinolin-8-ylamino)-1-oxo-6...)
Show SMILES COc1cc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)c2ncccc2c1
Show InChI InChI=1S/C24H29N5O6S/c1-34-19-14-18-10-7-12-26-22(18)21(15-19)28-23(30)20(11-5-6-13-27-36(25,32)33)29-24(31)35-16-17-8-3-2-4-9-17/h2-4,7-10,12,14-15,20,27H,5-6,11,13,16H2,1H3,(H,28,30)(H,29,31)(H2,25,32,33)/t20-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277215
PNG
(CHEMBL515285 | N1-(2-aminophenyl)-N8-(biphenyl-3-y...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H29N3O2/c27-23-15-8-9-16-24(23)29-26(31)18-7-2-1-6-17-25(30)28-22-14-10-13-21(19-22)20-11-4-3-5-12-20/h3-5,8-16,19H,1-2,6-7,17-18,27H2,(H,28,30)(H,29,31)
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n/an/a 490n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277290
PNG
(CHEMBL454438 | N-(quinolin-6-yl)-6-(sulfamoylamino...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C15H20N4O3S/c16-23(21,22)18-10-3-1-2-6-15(20)19-13-7-8-14-12(11-13)5-4-9-17-14/h4-5,7-9,11,18H,1-3,6,10H2,(H,19,20)(H2,16,21,22)
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n/an/a 490n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
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 600n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human 293T cells after 16 hrs by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (human))
BDBM50277291
PNG
(CHEMBL475714 | N-(quinolin-3-yl)-6-(sulfamoylamino...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C15H20N4O3S/c16-23(21,22)18-9-5-1-2-8-15(20)19-13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,10-11,18H,1-2,5,8-9H2,(H,19,20)(H2,16,21,22)
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n/an/a 710n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50257271
PNG
(CHEMBL493347 | N-(4-phenylthiazol-2-yl)-6-(sulfamo...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C15H20N4O3S2/c16-24(21,22)17-10-6-2-5-9-14(20)19-15-18-13(11-23-15)12-7-3-1-4-8-12/h1,3-4,7-8,11,17H,2,5-6,9-10H2,(H2,16,21,22)(H,18,19,20)
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n/an/a 900n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277217
PNG
(CHEMBL475301 | N-(biphenyl-3-yl)-6-(sulfamoylamino...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C18H23N3O3S/c19-25(23,24)20-13-6-2-5-12-18(22)21-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,20H,2,5-6,12-13H2,(H,21,22)(H2,19,23,24)
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n/an/a 1.10E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277288
PNG
(CHEMBL474097 | N-phenyl-6-(sulfamoylamino)hexanami...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C12H19N3O3S/c13-19(17,18)14-10-6-2-5-9-12(16)15-11-7-3-1-4-8-11/h1,3-4,7-8,14H,2,5-6,9-10H2,(H,15,16)(H2,13,17,18)
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n/an/a 1.50E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277329
PNG
((S)-benzyl 1-(6-methoxyquinolin-8-ylamino)-1-oxo-6...)
Show SMILES COc1cc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)c2ncccc2c1
Show InChI InChI=1S/C24H29N5O6S/c1-34-19-14-18-10-7-12-26-22(18)21(15-19)28-23(30)20(11-5-6-13-27-36(25,32)33)29-24(31)35-16-17-8-3-2-4-9-17/h2-4,7-10,12,14-15,20,27H,5-6,11,13,16H2,1H3,(H,28,30)(H,29,31)(H2,25,32,33)/t20-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human 293T cells after 16 hrs by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50256888
PNG
((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human 293T cells after 16 hrs by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277255
PNG
(6-(biphenyl-3-ylamino)-6-oxohexyl sulfamate | CHEM...)
Show SMILES NS(=O)(=O)OCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C18H22N2O4S/c19-25(22,23)24-13-6-2-5-12-18(21)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,20,21)(H2,19,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50257271
PNG
(CHEMBL493347 | N-(4-phenylthiazol-2-yl)-6-(sulfamo...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C15H20N4O3S2/c16-24(21,22)17-10-6-2-5-9-14(20)19-15-18-13(11-23-15)12-7-3-1-4-8-12/h1,3-4,7-8,11,17H,2,5-6,9-10H2,(H2,16,21,22)(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277292
PNG
(CHEMBL515295 | N-(6-methoxyquinolin-8-yl)-6-(sulfa...)
Show SMILES COc1cc(NC(=O)CCCCCNS(N)(=O)=O)c2ncccc2c1
Show InChI InChI=1S/C16H22N4O4S/c1-24-13-10-12-6-5-8-18-16(12)14(11-13)20-15(21)7-3-2-4-9-19-25(17,22)23/h5-6,8,10-11,19H,2-4,7,9H2,1H3,(H,20,21)(H2,17,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277217
PNG
(CHEMBL475301 | N-(biphenyl-3-yl)-6-(sulfamoylamino...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C18H23N3O3S/c19-25(23,24)20-13-6-2-5-12-18(22)21-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,20H,2,5-6,12-13H2,(H,21,22)(H2,19,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277291
PNG
(CHEMBL475714 | N-(quinolin-3-yl)-6-(sulfamoylamino...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C15H20N4O3S/c16-23(21,22)18-9-5-1-2-8-15(20)19-13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,10-11,18H,1-2,5,8-9H2,(H,19,20)(H2,16,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277290
PNG
(CHEMBL454438 | N-(quinolin-6-yl)-6-(sulfamoylamino...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C15H20N4O3S/c16-23(21,22)18-10-3-1-2-6-15(20)19-13-7-8-14-12(11-13)5-4-9-17-14/h4-5,7-9,11,18H,1-3,6,10H2,(H,19,20)(H2,16,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277253
PNG
(CHEMBL475101 | N-(biphenyl-3-yl)-6-(N,N-dimethylsu...)
Show SMILES CN(C)S(=O)(=O)NCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O3S/c1-23(2)27(25,26)21-15-8-4-7-14-20(24)22-19-13-9-12-18(16-19)17-10-5-3-6-11-17/h3,5-6,9-13,16,21H,4,7-8,14-15H2,1-2H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277256
PNG
(CHEMBL475293 | N1-(biphenyl-3-yl)-N7-sulfamoylhept...)
Show SMILES NS(=O)(=O)NC(=O)CCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H23N3O4S/c20-27(25,26)22-19(24)13-6-2-5-12-18(23)21-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,21,23)(H,22,24)(H2,20,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277216
PNG
(CHEMBL475095 | N-(biphenyl-3-yl)-5-(sulfamoylamino...)
Show SMILES NS(=O)(=O)NCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C17H21N3O3S/c18-24(22,23)19-12-5-4-11-17(21)20-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-3,6-10,13,19H,4-5,11-12H2,(H,20,21)(H2,18,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277257
PNG
(6-(N-acetylsulfamoylamino)-N-(biphenyl-3-yl)hexana...)
Show SMILES CC(=O)NS(=O)(=O)NCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H25N3O4S/c1-16(24)23-28(26,27)21-14-7-3-6-13-20(25)22-19-12-8-11-18(15-19)17-9-4-2-5-10-17/h2,4-5,8-12,15,21H,3,6-7,13-14H2,1H3,(H,22,25)(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277257
PNG
(6-(N-acetylsulfamoylamino)-N-(biphenyl-3-yl)hexana...)
Show SMILES CC(=O)NS(=O)(=O)NCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H25N3O4S/c1-16(24)23-28(26,27)21-14-7-3-6-13-20(25)22-19-12-8-11-18(15-19)17-9-4-2-5-10-17/h2,4-5,8-12,15,21H,3,6-7,13-14H2,1H3,(H,22,25)(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277256
PNG
(CHEMBL475293 | N1-(biphenyl-3-yl)-N7-sulfamoylhept...)
Show SMILES NS(=O)(=O)NC(=O)CCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H23N3O4S/c20-27(25,26)22-19(24)13-6-2-5-12-18(23)21-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,21,23)(H,22,24)(H2,20,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277254
PNG
(CHEMBL475102 | N-(biphenyl-3-yl)-6-(methyl(sulfamo...)
Show SMILES CN(CCCCCC(=O)Nc1cccc(c1)-c1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C19H25N3O3S/c1-22(26(20,24)25)14-7-3-6-13-19(23)21-18-12-8-11-17(15-18)16-9-4-2-5-10-16/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H,21,23)(H2,20,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277289
PNG
(CHEMBL507114 | N-(quinolin-8-yl)-6-(sulfamoylamino...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H20N4O3S/c16-23(21,22)18-11-3-1-2-9-14(20)19-13-8-4-6-12-7-5-10-17-15(12)13/h4-8,10,18H,1-3,9,11H2,(H,19,20)(H2,16,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277216
PNG
(CHEMBL475095 | N-(biphenyl-3-yl)-5-(sulfamoylamino...)
Show SMILES NS(=O)(=O)NCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C17H21N3O3S/c18-24(22,23)19-12-5-4-11-17(21)20-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-3,6-10,13,19H,4-5,11-12H2,(H,20,21)(H2,18,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277253
PNG
(CHEMBL475101 | N-(biphenyl-3-yl)-6-(N,N-dimethylsu...)
Show SMILES CN(C)S(=O)(=O)NCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O3S/c1-23(2)27(25,26)21-15-8-4-7-14-20(24)22-19-13-9-12-18(16-19)17-10-5-3-6-11-17/h3,5-6,9-13,16,21H,4,7-8,14-15H2,1-2H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277288
PNG
(CHEMBL474097 | N-phenyl-6-(sulfamoylamino)hexanami...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C12H19N3O3S/c13-19(17,18)14-10-6-2-5-9-12(16)15-11-7-3-1-4-8-11/h1,3-4,7-8,14H,2,5-6,9-10H2,(H,15,16)(H2,13,17,18)
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277218
PNG
(CHEMBL473890 | N-(biphenyl-3-yl)-7-(sulfamoylamino...)
Show SMILES NS(=O)(=O)NCCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O3S/c20-26(24,25)21-14-7-2-1-6-13-19(23)22-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,21H,1-2,6-7,13-14H2,(H,22,23)(H2,20,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277254
PNG
(CHEMBL475102 | N-(biphenyl-3-yl)-6-(methyl(sulfamo...)
Show SMILES CN(CCCCCC(=O)Nc1cccc(c1)-c1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C19H25N3O3S/c1-22(26(20,24)25)14-7-3-6-13-19(23)21-18-12-8-11-17(15-18)16-9-4-2-5-10-16/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H,21,23)(H2,20,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277219
PNG
(CHEMBL473891 | N-(biphenyl-3-yl)-6-(N-methylsulfam...)
Show SMILES CNS(=O)(=O)NCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O3S/c1-20-26(24,25)21-14-7-3-6-13-19(23)22-18-12-8-11-17(15-18)16-9-4-2-5-10-16/h2,4-5,8-12,15,20-21H,3,6-7,13-14H2,1H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277255
PNG
(6-(biphenyl-3-ylamino)-6-oxohexyl sulfamate | CHEM...)
Show SMILES NS(=O)(=O)OCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C18H22N2O4S/c19-25(22,23)24-13-6-2-5-12-18(21)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,20,21)(H2,19,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277218
PNG
(CHEMBL473890 | N-(biphenyl-3-yl)-7-(sulfamoylamino...)
Show SMILES NS(=O)(=O)NCCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O3S/c20-26(24,25)21-14-7-2-1-6-13-19(23)22-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,21H,1-2,6-7,13-14H2,(H,22,23)(H2,20,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277219
PNG
(CHEMBL473891 | N-(biphenyl-3-yl)-6-(N-methylsulfam...)
Show SMILES CNS(=O)(=O)NCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O3S/c1-20-26(24,25)21-14-7-3-6-13-19(23)22-18-12-8-11-17(15-18)16-9-4-2-5-10-16/h2,4-5,8-12,15,20-21H,3,6-7,13-14H2,1H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50257271
PNG
(CHEMBL493347 | N-(4-phenylthiazol-2-yl)-6-(sulfamo...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C15H20N4O3S2/c16-24(21,22)17-10-6-2-5-9-14(20)19-15-18-13(11-23-15)12-7-3-1-4-8-12/h1,3-4,7-8,11,17H,2,5-6,9-10H2,(H2,16,21,22)(H,18,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human 293T cells after 16 hrs by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277292
PNG
(CHEMBL515295 | N-(6-methoxyquinolin-8-yl)-6-(sulfa...)
Show SMILES COc1cc(NC(=O)CCCCCNS(N)(=O)=O)c2ncccc2c1
Show InChI InChI=1S/C16H22N4O4S/c1-24-13-10-12-6-5-8-18-16(12)14(11-13)20-15(21)7-3-2-4-9-19-25(17,22)23/h5-6,8,10-11,19H,2-4,7,9H2,1H3,(H,20,21)(H2,17,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human 293T cells after 16 hrs by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277215
PNG
(CHEMBL515285 | N1-(2-aminophenyl)-N8-(biphenyl-3-y...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H29N3O2/c27-23-15-8-9-16-24(23)29-26(31)18-7-2-1-6-17-25(30)28-22-14-10-13-21(19-22)20-11-4-3-5-12-20/h3-5,8-16,19H,1-2,6-7,17-18,27H2,(H,28,30)(H,29,31)
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n/an/a 5.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%