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PubMed code 15456267

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


(Rattus norvegicus)
BDBM50366958
PNG
(CHEMBL1790587)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C29H43N5O7/c1-4-18(2)25-29(39)34-16-8-10-23(34)28(38)30-21(9-6-5-7-11-24(35)33-40)26(36)31-22(27(37)32-25)17-19-12-14-20(41-3)15-13-19/h12-15,18,21-23,25,40H,4-11,16-17H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,33,35)/t18-,21+,22-,23-,25+/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 5b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 3a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 3b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 12a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 5b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50154337
PNG
(6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C26H37N5O6/c1-26(2)25(36)28-19(16-17-10-5-3-6-11-17)24(35)31-15-9-13-20(31)23(34)27-18(22(33)29-26)12-7-4-8-14-21(32)30-37/h3,5-6,10-11,18-20,37H,4,7-9,12-16H2,1-2H3,(H,27,34)(H,28,36)(H,29,33)(H,30,32)/t18-,19-,20+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 5b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 5a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase (HDAC) from HeLa cells with substrate 5a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Rattus norvegicus)
BDBM50366958
PNG
(CHEMBL1790587)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C29H43N5O7/c1-4-18(2)25-29(39)34-16-8-10-23(34)28(38)30-21(9-6-5-7-11-24(35)33-40)26(36)31-22(27(37)32-25)17-19-12-14-20(41-3)15-13-19/h12-15,18,21-23,25,40H,4-11,16-17H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,33,35)/t18-,21+,22-,23-,25+/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 3a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082325
PNG
(CHEMBL99392)
Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O
Show InChI InChI=1S/C20H19Cl2N4O6P/c1-10(20-25-18(26-31-20)7-11-2-4-14(21)15(22)6-11)23-19(27)17-9-12-8-13(32-33(28,29)30)3-5-16(12)24-17/h2-6,8,10,12,16H,7,9H2,1H3,(H,23,27)(H2,28,29,30)/t10-,12?,16?/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 5b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082665
PNG
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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n/an/a 78n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 3a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50366958
PNG
(CHEMBL1790587)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C29H43N5O7/c1-4-18(2)25-29(39)34-16-8-10-23(34)28(38)30-21(9-6-5-7-11-24(35)33-40)26(36)31-22(27(37)32-25)17-19-12-14-20(41-3)15-13-19/h12-15,18,21-23,25,40H,4-11,16-17H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,33,35)/t18-,21+,22-,23-,25+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 3b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50154337
PNG
(6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C26H37N5O6/c1-26(2)25(36)28-19(16-17-10-5-3-6-11-17)24(35)31-15-9-13-20(31)23(34)27-18(22(33)29-26)12-7-4-8-14-21(32)30-37/h3,5-6,10-11,18-20,37H,4,7-9,12-16H2,1-2H3,(H,27,34)(H,28,36)(H,29,33)(H,30,32)/t18-,19-,20+/m0/s1
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Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 3a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082665
PNG
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 3b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
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n/an/a 153n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 3b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
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Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 3a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50154337
PNG
(6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C26H37N5O6/c1-26(2)25(36)28-19(16-17-10-5-3-6-11-17)24(35)31-15-9-13-20(31)23(34)27-18(22(33)29-26)12-7-4-8-14-21(32)30-37/h3,5-6,10-11,18-20,37H,4,7-9,12-16H2,1-2H3,(H,27,34)(H,28,36)(H,29,33)(H,30,32)/t18-,19-,20+/m0/s1
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Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 3b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082657
PNG
(4-Dimethylamino-N-(7-hydroxycarbamoyl-heptyl)-benz...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCCC(=O)NO
Show InChI InChI=1S/C17H27N3O3/c1-20(2)15-11-9-14(10-12-15)17(22)18-13-7-5-3-4-6-8-16(21)19-23/h9-12,23H,3-8,13H2,1-2H3,(H,18,22)(H,19,21)
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n/an/a 241n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 5b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082657
PNG
(4-Dimethylamino-N-(7-hydroxycarbamoyl-heptyl)-benz...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCCC(=O)NO
Show InChI InChI=1S/C17H27N3O3/c1-20(2)15-11-9-14(10-12-15)17(22)18-13-7-5-3-4-6-8-16(21)19-23/h9-12,23H,3-8,13H2,1-2H3,(H,18,22)(H,19,21)
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Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 3a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082325
PNG
(CHEMBL99392)
Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O
Show InChI InChI=1S/C20H19Cl2N4O6P/c1-10(20-25-18(26-31-20)7-11-2-4-14(21)15(22)6-11)23-19(27)17-9-12-8-13(32-33(28,29)30)3-5-16(12)24-17/h2-6,8,10,12,16H,7,9H2,1H3,(H,23,27)(H2,28,29,30)/t10-,12?,16?/m0/s1
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n/an/a 349n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 3a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082325
PNG
(CHEMBL99392)
Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O
Show InChI InChI=1S/C20H19Cl2N4O6P/c1-10(20-25-18(26-31-20)7-11-2-4-14(21)15(22)6-11)23-19(27)17-9-12-8-13(32-33(28,29)30)3-5-16(12)24-17/h2-6,8,10,12,16H,7,9H2,1H3,(H,23,27)(H2,28,29,30)/t10-,12?,16?/m0/s1
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Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 3b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082657
PNG
(4-Dimethylamino-N-(7-hydroxycarbamoyl-heptyl)-benz...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCCC(=O)NO
Show InChI InChI=1S/C17H27N3O3/c1-20(2)15-11-9-14(10-12-15)17(22)18-13-7-5-3-4-6-8-16(21)19-23/h9-12,23H,3-8,13H2,1-2H3,(H,18,22)(H,19,21)
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n/an/a 488n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 3b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
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n/an/a 640n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 5a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition concentration required to inhibit rat liver histone deacetylase (HDAC) in the presence of compound 5e as a substrate


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase (HDAC) from HeLa cells with substrate 5a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082665
PNG
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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n/an/a 3.51E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver Histone deacetylase with substrate 5b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%