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PubMed code 11597413

Compile data set for download or QSAR
Found 46 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 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
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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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105678
PNG
((E)-N-Hydroxy-3-[4-(4-methoxy-benzenesulfonylamino...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18-13-5-2-12(3-6-13)4-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-4+
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n/an/a 60n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105675
PNG
((E)-3-[4-(4-Chloro-benzenesulfonylamino)-phenyl]-N...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H13ClN2O4S/c16-12-4-8-14(9-5-12)23(21,22)18-13-6-1-11(2-7-13)3-10-15(19)17-20/h1-10,18,20H,(H,17,19)/b10-3+
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n/an/a 75n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105689
PNG
((E)-3-[4-(3,4-Dimethoxy-benzenesulfonylamino)-phen...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C17H18N2O6S/c1-24-15-9-8-14(11-16(15)25-2)26(22,23)19-13-6-3-12(4-7-13)5-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-5+
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n/an/a 90n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105692
PNG
((E)-3-[4-(4-tert-Butyl-benzenesulfonylamino)-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C19H22N2O4S/c1-19(2,3)15-7-11-17(12-8-15)26(24,25)21-16-9-4-14(5-10-16)6-13-18(22)20-23/h4-13,21,23H,1-3H3,(H,20,22)/b13-6+
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n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105688
PNG
((E)-N-Hydroxy-3-[4-(3-trifluoromethyl-benzenesulfo...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N2O4S/c17-16(18,19)12-2-1-3-14(10-12)26(24,25)21-13-7-4-11(5-8-13)6-9-15(22)20-23/h1-10,21,23H,(H,20,22)/b9-6+
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n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105696
PNG
((E)-3-[4-(3,4-Dichloro-benzenesulfonylamino)-pheny...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C15H12Cl2N2O4S/c16-13-7-6-12(9-14(13)17)24(22,23)19-11-4-1-10(2-5-11)3-8-15(20)18-21/h1-9,19,21H,(H,18,20)/b8-3+
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n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105686
PNG
((E)-N-Hydroxy-3-[4-(toluene-3-sulfonylamino)-pheny...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-3-2-4-15(11-12)23(21,22)18-14-8-5-13(6-9-14)7-10-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b10-7+
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n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105684
PNG
(3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-propio...)
Show SMILES ONC(=O)CCc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-7,9-10,17,19H,8,11H2,(H,16,18)
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n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105691
PNG
((E)-3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-ac...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-11,17,19H,(H,16,18)/b11-8+
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n/an/a 200n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105677
PNG
((E)-N-Hydroxy-3-[4-(toluene-4-sulfonylamino)-pheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-2-9-15(10-3-12)23(21,22)18-14-7-4-13(5-8-14)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+
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n/an/a 300n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105681
PNG
((E)-3-[4-(2,4-Dichloro-benzenesulfonylamino)-pheny...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C15H12Cl2N2O4S/c16-11-4-7-14(13(17)9-11)24(22,23)19-12-5-1-10(2-6-12)3-8-15(20)18-21/h1-9,19,21H,(H,18,20)/b8-3+
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n/an/a 300n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105687
PNG
((E)-N-Hydroxy-3-[4-(2,4,5-triisopropyl-benzenesulf...)
Show SMILES CC(C)c1cc(C(C)C)c(cc1C(C)C)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C24H32N2O4S/c1-15(2)20-13-22(17(5)6)23(14-21(20)16(3)4)31(29,30)26-19-10-7-18(8-11-19)9-12-24(27)25-28/h7-17,26,28H,1-6H3,(H,25,27)/b12-9+
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n/an/a 600n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105685
PNG
((E)-3-[4-(Benzenesulfonyl-methyl-amino)-phenyl]-N-...)
Show SMILES CN(c1ccc(\C=C\C(=O)NO)cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O4S/c1-18(23(21,22)15-5-3-2-4-6-15)14-10-7-13(8-11-14)9-12-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b12-9+
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n/an/a 600n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105683
PNG
((E)-N-Hydroxy-3-[4-(4-trifluoromethoxy-benzenesulf...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C16H13F3N2O5S/c17-16(18,19)26-13-6-8-14(9-7-13)27(24,25)21-12-4-1-11(2-5-12)3-10-15(22)20-23/h1-10,21,23H,(H,20,22)/b10-3+
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n/an/a 600n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105679
PNG
((E)-N-Hydroxy-3-[4-(4-nitro-benzenesulfonylamino)-...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H13N3O6S/c19-15(16-20)10-3-11-1-4-12(5-2-11)17-25(23,24)14-8-6-13(7-9-14)18(21)22/h1-10,17,20H,(H,16,19)/b10-3+
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n/an/a 700n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105693
PNG
((E)-N-Hydroxy-3-[4-(4-sulfamoyl-benzenesulfonylami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C15H15N3O6S2/c16-25(21,22)13-6-8-14(9-7-13)26(23,24)18-12-4-1-11(2-5-12)3-10-15(19)17-20/h1-10,18,20H,(H,17,19)(H2,16,21,22)/b10-3+
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n/an/a 800n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105682
PNG
(4-Benzenesulfonylamino-N-hydroxy-benzamide | CHEMB...)
Show SMILES ONC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H12N2O4S/c16-13(14-17)10-6-8-11(9-7-10)15-20(18,19)12-4-2-1-3-5-12/h1-9,15,17H,(H,14,16)
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n/an/a 900n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105690
PNG
(2-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-acetam...)
Show SMILES ONC(=O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O4S/c17-14(15-18)10-11-6-8-12(9-7-11)16-21(19,20)13-4-2-1-3-5-13/h1-9,16,18H,10H2,(H,15,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105694
PNG
(4-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-butyra...)
Show SMILES ONC(=O)CCCc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H18N2O4S/c19-16(17-20)8-4-5-13-9-11-14(12-10-13)18-23(21,22)15-6-2-1-3-7-15/h1-3,6-7,9-12,18,20H,4-5,8H2,(H,17,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105695
PNG
((E)-3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-2-...)
Show SMILES C\C(=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C16H16N2O4S/c1-12(16(19)17-20)11-13-7-9-14(10-8-13)18-23(21,22)15-5-3-2-4-6-15/h2-11,18,20H,1H3,(H,17,19)/b12-11+
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n/an/a 2.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105680
PNG
(3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-2-meth...)
Show SMILES CC(Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C16H18N2O4S/c1-12(16(19)17-20)11-13-7-9-14(10-8-13)18-23(21,22)15-5-3-2-4-6-15/h2-10,12,18,20H,11H2,1H3,(H,17,19)
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n/an/a 1.70E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105676
PNG
(2-(4-Benzenesulfonylamino-benzyl)-N-hydroxy-3-meth...)
Show SMILES CC(C)C(Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C18H22N2O4S/c1-13(2)17(18(21)19-22)12-14-8-10-15(11-9-14)20-25(23,24)16-6-4-3-5-7-16/h3-11,13,17,20,22H,12H2,1-2H3,(H,19,21)
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n/an/a>2.50E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105689
PNG
((E)-3-[4-(3,4-Dimethoxy-benzenesulfonylamino)-phen...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C17H18N2O6S/c1-24-15-9-8-14(11-16(15)25-2)26(22,23)19-13-6-3-12(4-7-13)5-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-5+
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n/an/an/an/a 1.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105682
PNG
(4-Benzenesulfonylamino-N-hydroxy-benzamide | CHEMB...)
Show SMILES ONC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H12N2O4S/c16-13(14-17)10-6-8-11(9-7-10)15-20(18,19)12-4-2-1-3-5-12/h1-9,15,17H,(H,14,16)
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n/an/an/an/a 5.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105683
PNG
((E)-N-Hydroxy-3-[4-(4-trifluoromethoxy-benzenesulf...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C16H13F3N2O5S/c17-16(18,19)26-13-6-8-14(9-7-13)27(24,25)21-12-4-1-11(2-5-12)3-10-15(22)20-23/h1-10,21,23H,(H,20,22)/b10-3+
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n/an/an/an/a 2.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105685
PNG
((E)-3-[4-(Benzenesulfonyl-methyl-amino)-phenyl]-N-...)
Show SMILES CN(c1ccc(\C=C\C(=O)NO)cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O4S/c1-18(23(21,22)15-5-3-2-4-6-15)14-10-7-13(8-11-14)9-12-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b12-9+
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n/an/an/an/a>2.50E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105681
PNG
((E)-3-[4-(2,4-Dichloro-benzenesulfonylamino)-pheny...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C15H12Cl2N2O4S/c16-11-4-7-14(13(17)9-11)24(22,23)19-12-5-1-10(2-6-12)3-8-15(20)18-21/h1-9,19,21H,(H,18,20)/b8-3+
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n/an/an/an/a>2.50E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105692
PNG
((E)-3-[4-(4-tert-Butyl-benzenesulfonylamino)-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C19H22N2O4S/c1-19(2,3)15-7-11-17(12-8-15)26(24,25)21-16-9-4-14(5-10-16)6-13-18(22)20-23/h4-13,21,23H,1-3H3,(H,20,22)/b13-6+
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n/an/an/an/a 5.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105691
PNG
((E)-3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-ac...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-11,17,19H,(H,16,18)/b11-8+
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n/an/an/an/a 5.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105690
PNG
(2-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-acetam...)
Show SMILES ONC(=O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O4S/c17-14(15-18)10-11-6-8-12(9-7-11)16-21(19,20)13-4-2-1-3-5-13/h1-9,16,18H,10H2,(H,15,17)
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n/an/an/an/a>2.50E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105684
PNG
(3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-propio...)
Show SMILES ONC(=O)CCc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-7,9-10,17,19H,8,11H2,(H,16,18)
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n/an/an/an/a 5.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105677
PNG
((E)-N-Hydroxy-3-[4-(toluene-4-sulfonylamino)-pheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-2-9-15(10-3-12)23(21,22)18-14-7-4-13(5-8-14)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+
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n/an/an/an/a 1.00E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105675
PNG
((E)-3-[4-(4-Chloro-benzenesulfonylamino)-phenyl]-N...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H13ClN2O4S/c16-12-4-8-14(9-5-12)23(21,22)18-13-6-1-11(2-7-13)3-10-15(19)17-20/h1-10,18,20H,(H,17,19)/b10-3+
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n/an/an/an/a 1.50E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105678
PNG
((E)-N-Hydroxy-3-[4-(4-methoxy-benzenesulfonylamino...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18-13-5-2-12(3-6-13)4-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-4+
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n/an/an/an/a 5.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105696
PNG
((E)-3-[4-(3,4-Dichloro-benzenesulfonylamino)-pheny...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C15H12Cl2N2O4S/c16-13-7-6-12(9-14(13)17)24(22,23)19-11-4-1-10(2-5-11)3-8-15(20)18-21/h1-9,19,21H,(H,18,20)/b8-3+
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n/an/an/an/a 5.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105695
PNG
((E)-3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-2-...)
Show SMILES C\C(=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C16H16N2O4S/c1-12(16(19)17-20)11-13-7-9-14(10-8-13)18-23(21,22)15-5-3-2-4-6-15/h2-11,18,20H,1H3,(H,17,19)/b12-11+
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n/an/an/an/a>2.50E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105687
PNG
((E)-N-Hydroxy-3-[4-(2,4,5-triisopropyl-benzenesulf...)
Show SMILES CC(C)c1cc(C(C)C)c(cc1C(C)C)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C24H32N2O4S/c1-15(2)20-13-22(17(5)6)23(14-21(20)16(3)4)31(29,30)26-19-10-7-18(8-11-19)9-12-24(27)25-28/h7-17,26,28H,1-6H3,(H,25,27)/b12-9+
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n/an/an/an/a>2.50E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105688
PNG
((E)-N-Hydroxy-3-[4-(3-trifluoromethyl-benzenesulfo...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N2O4S/c17-16(18,19)12-2-1-3-14(10-12)26(24,25)21-13-7-4-11(5-8-13)6-9-15(22)20-23/h1-10,21,23H,(H,20,22)/b9-6+
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n/an/an/an/a 2.20E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105686
PNG
((E)-N-Hydroxy-3-[4-(toluene-3-sulfonylamino)-pheny...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-3-2-4-15(11-12)23(21,22)18-14-8-5-13(6-9-14)7-10-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b10-7+
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n/an/an/an/a 1.20E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105693
PNG
((E)-N-Hydroxy-3-[4-(4-sulfamoyl-benzenesulfonylami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C15H15N3O6S2/c16-25(21,22)13-6-8-14(9-7-13)26(23,24)18-12-4-1-11(2-5-12)3-10-15(19)17-20/h1-10,18,20H,(H,17,19)(H2,16,21,22)/b10-3+
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n/an/an/an/a>2.50E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105676
PNG
(2-(4-Benzenesulfonylamino-benzyl)-N-hydroxy-3-meth...)
Show SMILES CC(C)C(Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C18H22N2O4S/c1-13(2)17(18(21)19-22)12-14-8-10-15(11-9-14)20-25(23,24)16-6-4-3-5-7-16/h3-11,13,17,20,22H,12H2,1-2H3,(H,19,21)
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n/an/an/an/a>2.50E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105680
PNG
(3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-2-meth...)
Show SMILES CC(Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C16H18N2O4S/c1-12(16(19)17-20)11-13-7-9-14(10-8-13)18-23(21,22)15-5-3-2-4-6-15/h2-10,12,18,20H,11H2,1H3,(H,17,19)
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n/an/an/an/a>2.50E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105679
PNG
((E)-N-Hydroxy-3-[4-(4-nitro-benzenesulfonylamino)-...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H13N3O6S/c19-15(16-20)10-3-11-1-4-12(5-2-11)17-25(23,24)14-8-6-13(7-9-14)18(21)22/h1-10,17,20H,(H,16,19)/b10-3+
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n/an/an/an/a 2.00E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Concentration of compound required for acetylation of histone-4 in human T24 cancer cells


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
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/an/an/a 1.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1/8


(Homo sapiens (human))
BDBM50105694
PNG
(4-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-butyra...)
Show SMILES ONC(=O)CCCc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H18N2O4S/c19-16(17-20)8-4-5-13-9-11-14(12-10-13)18-23(21,22)15-6-2-1-3-7-15/h1-3,6-7,9-12,18,20H,4-5,8H2,(H,17,19)
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n/an/an/an/a>2.50E+4n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00552-2
BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%