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Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'abou-khalil' and Initial = 'e'   
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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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 1/8


(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


(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))
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))
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))
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))
BDBM50137828
PNG
(6-(5-Hydroxy-6-morpholin-4-ylmethyl-1,3-dioxo-1H,3...)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(CN4CCOCC4)c(O)cc(C1=O)c23
Show InChI InChI=1S/C29H32N4O5/c30-23-9-3-4-10-24(23)31-26(35)11-2-1-5-12-33-28(36)20-8-6-7-19-22(18-32-13-15-38-16-14-32)25(34)17-21(27(19)20)29(33)37/h3-4,6-10,17,34H,1-2,5,11-16,18,30H2,(H,31,35)
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n/an/a 500n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
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


(Homo sapiens (human))
BDBM50137829
PNG
(6-(5-Hydroxy-1,3-dioxo-1H,3H-benzo[de]isoquinolin-...)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3cc(O)cc(C1=O)c23
Show InChI InChI=1S/C24H23N3O4/c25-19-9-3-4-10-20(19)26-21(29)11-2-1-5-12-27-23(30)17-8-6-7-15-13-16(28)14-18(22(15)17)24(27)31/h3-4,6-10,13-14,28H,1-2,5,11-12,25H2,(H,26,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137838
PNG
(6-(6-Bromo-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-...)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23
Show InChI InChI=1S/C24H22BrN3O3/c25-18-13-12-17-22-15(18)7-6-8-16(22)23(30)28(24(17)31)14-5-1-2-11-21(29)27-20-10-4-3-9-19(20)26/h3-4,6-10,12-13H,1-2,5,11,14,26H2,(H,27,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137843
PNG
(8-Biphenyl-3-yl-8-oxo-octanoic acid (2-amino-pheny...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H28N2O2/c27-23-15-8-9-16-24(23)28-26(30)18-7-2-1-6-17-25(29)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)
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n/an/a 1.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
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 1/8


(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))
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US9265734, MS-275 | benzami...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
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))
BDBM50137832
PNG
(8-Naphthalen-2-yl-8-oxo-octanoic acid (2-amino-phe...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H26N2O2/c25-21-11-7-8-12-22(21)26-24(28)14-4-2-1-3-13-23(27)20-16-15-18-9-5-6-10-19(18)17-20/h5-12,15-17H,1-4,13-14,25H2,(H,26,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137826
PNG
(8-Biphenyl-4-yl-8-oxo-octanoic acid (2-amino-pheny...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H28N2O2/c27-23-12-8-9-13-24(23)28-26(30)15-7-2-1-6-14-25(29)22-18-16-21(17-19-22)20-10-4-3-5-11-20/h3-5,8-13,16-19H,1-2,6-7,14-15,27H2,(H,28,30)
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n/an/a 2.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137848
PNG
(6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic a...)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H21N3O3/c21-16-10-5-6-11-17(16)22-18(24)12-2-1-7-13-23-19(25)14-8-3-4-9-15(14)20(23)26/h3-6,8-11H,1-2,7,12-13,21H2,(H,22,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137839
PNG
(6-(5-Hydroxy-1,3-dioxo-6-piperidin-1-ylmethyl-1H,3...)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(CN4CCCCC4)c(O)cc(C1=O)c23
Show InChI InChI=1S/C30H34N4O4/c31-24-12-4-5-13-25(24)32-27(36)14-3-1-8-17-34-29(37)21-11-9-10-20-23(19-33-15-6-2-7-16-33)26(35)18-22(28(20)21)30(34)38/h4-5,9-13,18,35H,1-3,6-8,14-17,19,31H2,(H,32,36)
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n/an/a 2.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137830
PNG
(6-(5-Hydroxy-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-...)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C20H21N3O4/c21-16-6-3-4-7-17(16)22-18(25)8-2-1-5-11-23-19(26)14-10-9-13(24)12-15(14)20(23)27/h3-4,6-7,9-10,12,24H,1-2,5,8,11,21H2,(H,22,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137831
PNG
(8-Oxo-8-(6-phenyl-pyridin-3-yl)-octanoic acid (2-a...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C25H27N3O2/c26-21-12-8-9-13-23(21)28-25(30)15-7-2-1-6-14-24(29)20-16-17-22(27-18-20)19-10-4-3-5-11-19/h3-5,8-13,16-18H,1-2,6-7,14-15,26H2,(H,28,30)
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n/an/a 3.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137845
PNG
(6-(5-Methyl-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-h...)
Show SMILES Cc1ccc2C(=O)N(CCCCCC(=O)Nc3ccccc3N)C(=O)c2c1
Show InChI InChI=1S/C21H23N3O3/c1-14-10-11-15-16(13-14)21(27)24(20(15)26)12-6-2-3-9-19(25)23-18-8-5-4-7-17(18)22/h4-5,7-8,10-11,13H,2-3,6,9,12,22H2,1H3,(H,23,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137847
PNG
(6-(5-Hydroxy-1,3-dioxo-6-piperidin-1-ylmethyl-1,3-...)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cc(O)c(CN3CCCCC3)cc2C1=O
Show InChI InChI=1S/C26H32N4O4/c27-21-9-4-5-10-22(21)28-24(32)11-3-1-8-14-30-25(33)19-15-18(17-29-12-6-2-7-13-29)23(31)16-20(19)26(30)34/h4-5,9-10,15-16,31H,1-3,6-8,11-14,17,27H2,(H,28,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137849
PNG
(6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexa...)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C24H23N3O3/c25-19-12-3-4-13-20(19)26-21(28)14-2-1-5-15-27-23(29)17-10-6-8-16-9-7-11-18(22(16)17)24(27)30/h3-4,6-13H,1-2,5,14-15,25H2,(H,26,28)
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n/an/a 3.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137840
PNG
(6-(1-Methyl-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-...)
Show SMILES Cn1c2ccccc2c(=O)n(CCCCCC(=O)Nc2ccccc2N)c1=O
Show InChI InChI=1S/C21H24N4O3/c1-24-18-12-7-4-9-15(18)20(27)25(21(24)28)14-8-2-3-13-19(26)23-17-11-6-5-10-16(17)22/h4-7,9-12H,2-3,8,13-14,22H2,1H3,(H,23,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137833
PNG
(6-(5-Hydroxy-6-morpholin-4-ylmethyl-1,3-dioxo-1,3-...)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cc(O)c(CN3CCOCC3)cc2C1=O
Show InChI InChI=1S/C25H30N4O5/c26-20-6-3-4-7-21(20)27-23(31)8-2-1-5-9-29-24(32)18-14-17(16-28-10-12-34-13-11-28)22(30)15-19(18)25(29)33/h3-4,6-7,14-15,30H,1-2,5,8-13,16,26H2,(H,27,31)
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n/an/a 4.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137836
PNG
(8-(3',4'-Dimethoxy-biphenyl-4-yl)-8-oxo-octanoic a...)
Show SMILES COc1ccc(cc1OC)-c1ccc(cc1)C(=O)CCCCCCC(=O)Nc1ccccc1N
Show InChI InChI=1S/C28H32N2O4/c1-33-26-18-17-22(19-27(26)34-2)20-13-15-21(16-14-20)25(31)11-5-3-4-6-12-28(32)30-24-10-8-7-9-23(24)29/h7-10,13-19H,3-6,11-12,29H2,1-2H3,(H,30,32)
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n/an/a 4.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137844
PNG
(6-(1-Oxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid ...)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1Cc2ccccc2C1=O
Show InChI InChI=1S/C20H23N3O2/c21-17-10-5-6-11-18(17)22-19(24)12-2-1-7-13-23-14-15-8-3-4-9-16(15)20(23)25/h3-6,8-11H,1-2,7,12-14,21H2,(H,22,24)
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n/an/a 4.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137834
PNG
(6-(2,4-Dioxo-1,4-dihydro-2H-quinazolin-3-yl)-hexan...)
Show SMILES Nc1ccccc1NC(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C20H22N4O3/c21-15-9-4-6-11-17(15)22-18(25)12-2-1-7-13-24-19(26)14-8-3-5-10-16(14)23-20(24)27/h3-6,8-11H,1-2,7,12-13,21H2,(H,22,25)(H,23,27)
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n/an/a 4.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137850
PNG
(6-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccnc2C1=O
Show InChI InChI=1S/C19H20N4O3/c20-14-8-3-4-9-15(14)22-16(24)10-2-1-5-12-23-18(25)13-7-6-11-21-17(13)19(23)26/h3-4,6-9,11H,1-2,5,10,12,20H2,(H,22,24)
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n/an/a 5.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137842
PNG
(8-(4-Methoxy-phenyl)-8-oxo-octanoic acid (2-amino-...)
Show SMILES COc1ccc(cc1)C(=O)CCCCCCC(=O)Nc1ccccc1N
Show InChI InChI=1S/C21H26N2O3/c1-26-17-14-12-16(13-15-17)20(24)10-4-2-3-5-11-21(25)23-19-9-7-6-8-18(19)22/h6-9,12-15H,2-5,10-11,22H2,1H3,(H,23,25)
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n/an/a 5.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137835
PNG
(8-(4-Bromo-phenyl)-8-oxo-octanoic acid (2-amino-ph...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C20H23BrN2O2/c21-16-13-11-15(12-14-16)19(24)9-3-1-2-4-10-20(25)23-18-8-6-5-7-17(18)22/h5-8,11-14H,1-4,9-10,22H2,(H,23,25)
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n/an/a 6.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137841
PNG
(6-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-yl)-hexanoic ...)
Show SMILES Nc1ccccc1NC(=O)CCCCCn1nnc2ccccc2c1=O
Show InChI InChI=1S/C19H21N5O2/c20-15-9-4-6-11-17(15)21-18(25)12-2-1-7-13-24-19(26)14-8-3-5-10-16(14)22-23-24/h3-6,8-11H,1-2,7,12-13,20H2,(H,21,25)
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n/an/a 8.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137827
PNG
(8-Oxo-8-phenyl-octanoic acid (2-amino-phenyl)-amid...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O2/c21-17-12-8-9-13-18(17)22-20(24)15-7-2-1-6-14-19(23)16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)
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n/an/a 9.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137837
PNG
(8-Oxo-8-(4-pyridin-3-yl-phenyl)-octanoic acid (2-a...)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H27N3O2/c26-22-9-5-6-10-23(22)28-25(30)12-4-2-1-3-11-24(29)20-15-13-19(14-16-20)21-8-7-17-27-18-21/h5-10,13-18H,1-4,11-12,26H2,(H,28,30)
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n/an/a 1.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50137846
PNG
(6-(4-Oxo-4H-quinazolin-3-yl)-hexanoic acid (2-amin...)
Show SMILES Nc1ccccc1NC(=O)CCCCCn1cnc2ccccc2c1=O
Show InChI InChI=1S/C20H22N4O2/c21-16-9-4-6-11-18(16)23-19(25)12-2-1-7-13-24-14-22-17-10-5-3-8-15(17)20(24)26/h3-6,8-11,14H,1-2,7,12-13,21H2,(H,23,25)
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n/an/a 1.20E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50137839
PNG
(6-(5-Hydroxy-1,3-dioxo-6-piperidin-1-ylmethyl-1H,3...)
Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(CN4CCCCC4)c(O)cc(C1=O)c23
Show InChI InChI=1S/C30H34N4O4/c31-24-12-4-5-13-25(24)32-27(36)14-3-1-8-17-34-29(37)21-11-9-10-20-23(19-33-15-6-2-7-16-33)26(35)18-22(28(20)21)30(34)38/h4-5,9-13,18,35H,1-3,6-8,14-17,19,31H2,(H,32,36)
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n/an/an/an/a 1.00E+3n/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Effect on induced hyperacetylation of histones in whole cells


Bioorg Med Chem Lett 14: 283-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.083
BindingDB Entry DOI: 10.7270/Q2BV7G17
More data for this
Ligand-Target Pair
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