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PubMed code 12061890

Compile data set for download or QSAR
Found 26 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))
BDBM50114813
PNG
(8-(4'-Bromo-biphenyl-4-yl)-8-oxo-octanoic acid hyd...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H22BrNO3/c21-18-13-11-16(12-14-18)15-7-9-17(10-8-15)19(23)5-3-1-2-4-6-20(24)22-25/h7-14,25H,1-6H2,(H,22,24)
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PubMed
n/an/a 2n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114835
PNG
((E)-8-(biphenyl-4-yl)-N-hydroxy-8-(hydroxyimino)oc...)
Show SMILES ONC(=O)CCCCCCC(N=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-20(22-25)11-7-2-1-6-10-19(21-24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15,19,25H,1-2,6-7,10-11H2,(H,22,23)
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n/an/a 4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114811
PNG
(8-Oxo-8-[4-(4-phenyl-piperazin-1-yl)-phenyl]-octan...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H31N3O3/c28-23(10-6-1-2-7-11-24(29)25-30)20-12-14-22(15-13-20)27-18-16-26(17-19-27)21-8-4-3-5-9-21/h3-5,8-9,12-15,30H,1-2,6-7,10-11,16-19H2,(H,25,29)
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n/an/a 4.5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114816
PNG
(8-(biphenyl-4-yl)-N-hydroxy-8-oxooctanamide | 8-Bi...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H23NO3/c22-19(10-6-1-2-7-11-20(23)21-24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15,24H,1-2,6-7,10-11H2,(H,21,23)
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n/an/a 5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
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
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114814
PNG
(8-Naphthalen-2-yl-8-oxo-octanoic acid hydroxyamide...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21NO3/c20-17(9-3-1-2-4-10-18(21)19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,22H,1-4,9-10H2,(H,19,21)
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n/an/a 5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114829
PNG
((E)-8-Naphthalen-2-yl-oct-7-enoic acid hydroxyamid...)
Show SMILES ONC(=O)CCCCC\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21NO2/c20-18(19-21)11-5-3-1-2-4-8-15-12-13-16-9-6-7-10-17(16)14-15/h4,6-10,12-14,21H,1-3,5,11H2,(H,19,20)/b8-4+
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n/an/a 6n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114823
PNG
(8-Naphthalen-2-yl-non-8-enoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCCC(=C)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO2/c1-15(8-4-2-3-5-11-19(21)20-22)17-13-12-16-9-6-7-10-18(16)14-17/h6-7,9-10,12-14,22H,1-5,8,11H2,(H,20,21)
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n/an/a 8n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114828
PNG
((E)-N-hydroxy-8-(hydroxyimino)-8-(naphthalen-2-yl)...)
Show SMILES ONC(=O)CCCCCCC(N=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H22N2O3/c21-18(20-23)10-4-2-1-3-9-17(19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,17,23H,1-4,9-10H2,(H,20,21)
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n/an/a 8.5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114821
PNG
(8-Oxo-8-(4-piperidin-1-yl-phenyl)-octanoic acid hy...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C19H28N2O3/c22-18(8-4-1-2-5-9-19(23)20-24)16-10-12-17(13-11-16)21-14-6-3-7-15-21/h10-13,24H,1-9,14-15H2,(H,20,23)
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n/an/a 9.5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114826
PNG
(8-(4-Methoxy-phenyl)-8-oxo-octanoic acid hydroxyam...)
Show SMILES COc1ccc(cc1)C(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C15H21NO4/c1-20-13-10-8-12(9-11-13)14(17)6-4-2-3-5-7-15(18)16-19/h8-11,19H,2-7H2,1H3,(H,16,18)
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n/an/a 15n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114833
PNG
(8-Naphthalen-2-yl-octanoic acid hydroxyamide | CHE...)
Show SMILES ONC(=O)CCCCCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C18H23NO2/c20-18(19-21)11-5-3-1-2-4-8-15-12-13-16-9-6-7-10-17(16)14-15/h6-7,9-10,12-14,21H,1-5,8,11H2,(H,19,20)
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n/an/a 25n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114820
PNG
(8-Hydroxy-8-naphthalen-2-yl-octanoic acid hydroxya...)
Show SMILES ONC(=O)CCCCCCC(O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H23NO3/c20-17(9-3-1-2-4-10-18(21)19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,17,20,22H,1-4,9-10H2,(H,19,21)
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n/an/a 35n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114827
PNG
(7-Naphthalen-2-yl-7-oxo-heptanoic acid hydroxyamid...)
Show SMILES ONC(=O)CCCCCC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H19NO3/c19-16(8-2-1-3-9-17(20)18-21)15-11-10-13-6-4-5-7-14(13)12-15/h4-7,10-12,21H,1-3,8-9H2,(H,18,20)
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n/an/a 35n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114817
PNG
(8-(4-Bromo-phenyl)-8-oxo-octanoic acid hydroxyamid...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrNO3/c15-12-9-7-11(8-10-12)13(17)5-3-1-2-4-6-14(18)16-19/h7-10,19H,1-6H2,(H,16,18)
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n/an/a 45n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114812
PNG
(8-Oxo-8-(4-trifluoromethyl-phenyl)-octanoic acid h...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H18F3NO3/c16-15(17,18)12-9-7-11(8-10-12)13(20)5-3-1-2-4-6-14(21)19-22/h7-10,22H,1-6H2,(H,19,21)
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n/an/a 45n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114830
PNG
(8-Oxo-8-thiophen-2-yl-octanoic acid hydroxyamide |...)
Show SMILES ONC(=O)CCCCCCC(=O)c1cccs1
Show InChI InChI=1S/C12H17NO3S/c14-10(11-7-5-9-17-11)6-3-1-2-4-8-12(15)13-16/h5,7,9,16H,1-4,6,8H2,(H,13,15)
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n/an/a 50n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114834
PNG
(8-Oxo-8-phenyl-octanoic acid hydroxyamide | CHEMBL...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccccc1
Show InChI InChI=1S/C14H19NO3/c16-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(17)15-18/h3-5,8-9,18H,1-2,6-7,10-11H2,(H,15,17)
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n/an/a 65n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114815
PNG
(8-(2-Methoxy-phenyl)-8-oxo-octanoic acid hydroxyam...)
Show SMILES COc1ccccc1C(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C15H21NO4/c1-20-14-10-7-6-8-12(14)13(17)9-4-2-3-5-11-15(18)16-19/h6-8,10,19H,2-5,9,11H2,1H3,(H,16,18)
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n/an/a 95n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114824
PNG
(9-Oxo-9-phenyl-nonanoic acid hydroxyamide | CHEMBL...)
Show SMILES ONC(=O)CCCCCCCC(=O)c1ccccc1
Show InChI InChI=1S/C15H21NO3/c17-14(13-9-5-4-6-10-13)11-7-2-1-3-8-12-15(18)16-19/h4-6,9-10,19H,1-3,7-8,11-12H2,(H,16,18)
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n/an/a 135n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114831
PNG
(8-Oxo-8-pyridin-3-yl-octanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCCC(=O)c1cccnc1
Show InChI InChI=1S/C13H18N2O3/c16-12(11-6-5-9-14-10-11)7-3-1-2-4-8-13(17)15-18/h5-6,9-10,18H,1-4,7-8H2,(H,15,17)
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n/an/a 153n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114825
PNG
(8-Biphenyl-4-yl-8-[(E)-hydroxyimino]-octanoic acid...)
Show SMILES OC(=O)CCCCCCC(N=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H23NO3/c22-20(23)11-7-2-1-6-10-19(21-24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15,19H,1-2,6-7,10-11H2,(H,22,23)
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n/an/a 200n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114822
PNG
(7-(4-Methoxy-phenyl)-7-oxo-heptanoic acid hydroxya...)
Show SMILES COc1ccc(cc1)C(=O)CCCCCC(=O)NO
Show InChI InChI=1S/C14H19NO4/c1-19-12-9-7-11(8-10-12)13(16)5-3-2-4-6-14(17)15-18/h7-10,18H,2-6H2,1H3,(H,15,17)
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n/an/a 450n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114832
PNG
(7-Oxo-7-phenyl-heptanoic acid hydroxyamide | CHEMB...)
Show SMILES ONC(=O)CCCCCC(=O)c1ccccc1
Show InChI InChI=1S/C13H17NO3/c15-12(11-7-3-1-4-8-11)9-5-2-6-10-13(16)14-17/h1,3-4,7-8,17H,2,5-6,9-10H2,(H,14,16)
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n/an/a 500n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114818
PNG
(2-Methyl-8-naphthalen-2-yl-8-oxo-octanoic acid hyd...)
Show SMILES CC(CCCCCC(=O)c1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C19H23NO3/c1-14(19(22)20-23)7-3-2-4-10-18(21)17-12-11-15-8-5-6-9-16(15)13-17/h5-6,8-9,11-14,23H,2-4,7,10H2,1H3,(H,20,22)
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n/an/a 600n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50114819
PNG
(6-Oxo-6-phenyl-hexanoic acid hydroxyamide | CHEMBL...)
Show SMILES ONC(=O)CCCCC(=O)c1ccccc1
Show InChI InChI=1S/C12H15NO3/c14-11(10-6-2-1-3-7-10)8-4-5-9-12(15)13-16/h1-3,6-7,16H,4-5,8-9H2,(H,13,15)
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n/an/a 1.50E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


Article DOI: 10.1021/jm020154k
BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%