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Compile Data Set for Download or QSAR

Found 50 hits of ic50 data for polymerid = 50006779   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase


(Rattus norvegicus)
BDBM50047418
PNG
(CHEMBL3319223)
Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)N4CCOCC4)sc3c2)CC1
Show InChI InChI=1S/C27H33ClN6O5S2/c1-32-8-10-33(11-9-32)7-2-16-41(37,38)20-4-6-23-24(18-20)40-27(29-23)31-26(36)30-25(35)21-17-19(3-5-22(21)28)34-12-14-39-15-13-34/h3-6,17-18H,2,7-16H2,1H3,(H2,29,30,31,35,36)
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n/an/a 3.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from rat GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method


J Med Chem 57: 6128-40 (2014)


Article DOI: 10.1021/jm500610n
BindingDB Entry DOI: 10.7270/Q279469X
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 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 12n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC)


Bioorg Med Chem Lett 13: 1861-4 (2003)


BindingDB Entry DOI: 10.7270/Q2WW7KW0
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)
BDBM50146077
PNG
(CHEMBL3763388)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C\c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C18H20N4O3/c1-21(2)16-10-8-15(9-11-16)18(24)22(3)19-12-13-4-6-14(7-5-13)17(23)20-25/h4-12,25H,1-3H3,(H,20,23)/b19-12+
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n/an/a 18n/an/an/an/an/an/a



Universidade Federal de Alfenas

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver by fluorimetry


J Med Chem 59: 655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01525
BindingDB Entry DOI: 10.7270/Q2VD71B2
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)
BDBM50146076
PNG
(CHEMBL3764525)
Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
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n/an/a 21n/an/an/an/an/an/a



Universidade Federal de Alfenas

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver by fluorimetry


J Med Chem 59: 655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01525
BindingDB Entry DOI: 10.7270/Q2VD71B2
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


(Rattus norvegicus)
BDBM50475567
PNG
(6-Benzenesulfonylhexanoic Acid Hydroxamide | CHEMB...)
Show SMILES ONC(=O)CCCCCS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H17NO4S/c14-12(13-15)9-5-2-6-10-18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
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n/an/a 40n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
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 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)
BDBM50475570
PNG
(6-Benzenesulfinylhexanoic Acid Hydroxamide | CHEMB...)
Show SMILES ONC(=O)CCCCC[S+]([O-])c1ccccc1
Show InChI InChI=1S/C12H17NO3S/c14-12(13-15)9-5-2-6-10-17(16)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
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n/an/a 60n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
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 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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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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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)
BDBM50475559
PNG
(CHEMBL371212)
Show SMILES ONC(=O)CCCCCSc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H21ClN2O4S2/c19-14-5-11-17(12-6-14)27(24,25)21-15-7-9-16(10-8-15)26-13-3-1-2-4-18(22)20-23/h5-12,21,23H,1-4,13H2,(H,20,22)
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University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50475566
PNG
(6-Phenylsulfanylhexanoic Acid Hydroxamide | CHEMBL...)
Show SMILES ONC(=O)CCCCCSc1ccccc1
Show InChI InChI=1S/C12H17NO2S/c14-12(13-15)9-5-2-6-10-16-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
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University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
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)
BDBM50475565
PNG
(6-(4-Chlorophenylsulfinyl)Hexanoic Acid Hydroxamid...)
Show SMILES ONC(=O)CCCCC[S+]([O-])c1ccc(Cl)cc1
Show InChI InChI=1S/C12H16ClNO3S/c13-10-5-7-11(8-6-10)18(17)9-3-1-2-4-12(15)14-16/h5-8,16H,1-4,9H2,(H,14,15)
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University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
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 152n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC)


Bioorg Med Chem Lett 13: 1861-4 (2003)


BindingDB Entry DOI: 10.7270/Q2WW7KW0
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)
BDBM50475562
PNG
(CHEMBL383285)
Show SMILES CN(C)c1ccc(Sc2cccc(\C=C\C(=O)NO)c2)cc1
Show InChI InChI=1S/C17H18N2O2S/c1-19(2)14-7-9-15(10-8-14)22-16-5-3-4-13(12-16)6-11-17(20)18-21/h3-12,21H,1-2H3,(H,18,20)/b11-6+
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University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50475558
PNG
(6-(4-Dimethylaminophenylsulfinyl)Hexanoic Acid Hyd...)
Show SMILES CN(C)c1ccc(cc1)[S+]([O-])CCCCCC(=O)NO
Show InChI InChI=1S/C14H22N2O3S/c1-16(2)12-7-9-13(10-8-12)20(19)11-5-3-4-6-14(17)15-18/h7-10,18H,3-6,11H2,1-2H3,(H,15,17)
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University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
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 216n/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)
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)
BDBM50475557
PNG
(CHEMBL203421)
Show SMILES ONC(=O)\C=C\C=C\C[S+]([O-])c1ccccc1
Show InChI InChI=1S/C12H13NO3S/c14-12(13-15)9-5-2-6-10-17(16)11-7-3-1-4-8-11/h1-9,15H,10H2,(H,13,14)/b6-2+,9-5+
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University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
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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n/an/a 256n/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)
BDBM50475556
PNG
(6-(4-Chlorophenylsulfanyl)Hexanoic Acid Hydroxamid...)
Show SMILES ONC(=O)CCCCCSc1ccc(Cl)cc1
Show InChI InChI=1S/C12H16ClNO2S/c13-10-5-7-11(8-6-10)17-9-3-1-2-4-12(15)14-16/h5-8,16H,1-4,9H2,(H,14,15)
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n/an/a 260n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50475563
PNG
(CHEMBL199713)
Show SMILES ONC(=O)\C=C\C=C\CSc1ccc(Cl)cc1
Show InChI InChI=1S/C12H12ClNO2S/c13-10-5-7-11(8-6-10)17-9-3-1-2-4-12(15)14-16/h1-8,16H,9H2,(H,14,15)/b3-1+,4-2+
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University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50475561
PNG
(CHEMBL380339)
Show SMILES CC(Sc1ccc(cc1)N(C)C)\C=C(/C)\C=C\C(=O)NO
Show InChI InChI=1S/C16H22N2O2S/c1-12(5-10-16(19)17-20)11-13(2)21-15-8-6-14(7-9-15)18(3)4/h5-11,13,20H,1-4H3,(H,17,19)/b10-5+,12-11+
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n/an/a 340n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
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)
BDBM50220740
PNG
(CHEMBL55974)
Show SMILES C[C@H](CCCCC(=O)NO)NC(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C16H25N3O3/c1-12(6-4-5-7-15(20)18-22)17-16(21)13-8-10-14(11-9-13)19(2)3/h8-12,22H,4-7H2,1-3H3,(H,17,21)(H,18,20)/t12-/m1/s1
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n/an/a 359n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC)


Bioorg Med Chem Lett 13: 1861-4 (2003)


BindingDB Entry DOI: 10.7270/Q2WW7KW0
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50475569
PNG
(7-(4-Chlorophenylsulfinyl)Heptanoic Acid Hydroxami...)
Show SMILES ONC(=O)CCCCCC[S+]([O-])c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO3S/c14-11-6-8-12(9-7-11)19(18)10-4-2-1-3-5-13(16)15-17/h6-9,17H,1-5,10H2,(H,15,16)
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n/an/a 380n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50475564
PNG
(CHEMBL381561)
Show SMILES ONC(=O)\C=C\C=C\CSc1ccccc1
Show InChI InChI=1S/C12H13NO2S/c14-12(13-15)9-5-2-6-10-16-11-7-3-1-4-8-11/h1-9,15H,10H2,(H,13,14)/b6-2+,9-5+
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University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50475560
PNG
(CHEMBL203036)
Show SMILES ONC(=O)\C=C\C=C\C[S+]([O-])c1ccc(Cl)cc1
Show InChI InChI=1S/C12H12ClNO3S/c13-10-5-7-11(8-6-10)18(17)9-3-1-2-4-12(15)14-16/h1-8,16H,9H2,(H,14,15)/b3-1+,4-2+
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n/an/a 400n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50475568
PNG
(CHEMBL201075)
Show SMILES COc1ccc(cc1)[S+]([O-])C\C=C\C=C\C(=O)NO
Show InChI InChI=1S/C13H15NO4S/c1-18-11-6-8-12(9-7-11)19(17)10-4-2-3-5-13(15)14-16/h2-9,16H,10H2,1H3,(H,14,15)/b4-2+,5-3+
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n/an/a 410n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
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)
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 440n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
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)
BDBM50475571
PNG
(CHEMBL199665)
Show SMILES ONC(=O)\C=C\C=C\CSc1cccc2ccccc12
Show InChI InChI=1S/C16H15NO2S/c18-16(17-19)11-2-1-5-12-20-15-10-6-8-13-7-3-4-9-14(13)15/h1-11,19H,12H2,(H,17,18)/b5-1+,11-2+
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n/an/a 700n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50146075
PNG
(CHEMBL3765502)
Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1cccc(c1)C(=O)NO
Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-8-6-13(7-9-15)16(22)19-18-11-12-4-3-5-14(10-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universidade Federal de Alfenas

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver by fluorimetry


J Med Chem 59: 655-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01525
BindingDB Entry DOI: 10.7270/Q2VD71B2
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


(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
Histone deacetylase


(Rattus norvegicus)
BDBM50220741
PNG
(CHEMBL417594)
Show SMILES C[C@@H](NC(=O)c1ccc(cc1)N(C)C)\C=C\C=C\C(=O)NO
Show InChI InChI=1S/C16H21N3O3/c1-12(6-4-5-7-15(20)18-22)17-16(21)13-8-10-14(11-9-13)19(2)3/h4-12,22H,1-3H3,(H,17,21)(H,18,20)/b6-4+,7-5+/t12-/m1/s1
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n/an/a 1.22E+4n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC)


Bioorg Med Chem Lett 13: 1861-4 (2003)


BindingDB Entry DOI: 10.7270/Q2WW7KW0
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50475572
PNG
(CHEMBL380443)
Show SMILES CN(C)c1ccc2sc(\C=C\C=C\C(=O)NO)cc2c1
Show InChI InChI=1S/C15H16N2O2S/c1-17(2)12-7-8-14-11(9-12)10-13(20-14)5-3-4-6-15(18)16-19/h3-10,19H,1-2H3,(H,16,18)/b5-3+,6-4+
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n/an/a>2.50E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair