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Compile Data Set for Download or QSAR

Found 183 hits of ph data with Target = 'Histone deacetylase 1'   
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))
BDBM24621
PNG
(CG-003 | N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-...)
Show SMILES ONC(=O)c1ccc(OCCNC(=O)c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C18H16N2O5/c21-17(20-23)12-5-7-14(8-6-12)24-10-9-19-18(22)16-11-13-3-1-2-4-15(13)25-16/h1-8,11,23H,9-10H2,(H,19,22)(H,20,21)
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4 -47.5n/an/an/an/an/a7.422



Celera Genomics



Assay Description
HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...


Mol Cancer Ther 5: 1309-17 (2006)


Article DOI: 10.1158/1535-7163.MCT-05-0442
BindingDB Entry DOI: 10.7270/Q2DF6PJJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24620
PNG
(CG-002 | N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}n...)
Show SMILES ONC(=O)c1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C20H18N2O4/c23-19(17-6-5-14-3-1-2-4-16(14)13-17)21-11-12-26-18-9-7-15(8-10-18)20(24)22-25/h1-10,13,25H,11-12H2,(H,21,23)(H,22,24)
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6 -46.5n/an/an/an/an/a7.422



Celera Genomics



Assay Description
HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...


Mol Cancer Ther 5: 1309-17 (2006)


Article DOI: 10.1158/1535-7163.MCT-05-0442
BindingDB Entry DOI: 10.7270/Q2DF6PJJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24622
PNG
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
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7 -46.1n/an/an/an/an/a7.422



Celera Genomics



Assay Description
HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...


Mol Cancer Ther 5: 1309-17 (2006)


Article DOI: 10.1158/1535-7163.MCT-05-0442
BindingDB Entry DOI: 10.7270/Q2DF6PJJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24618
PNG
(CG-001 | N-hydroxy-4-[2-(phenylformamido)ethoxy]be...)
Show SMILES ONC(=O)c1ccc(OCCNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O4/c19-15(12-4-2-1-3-5-12)17-10-11-22-14-8-6-13(7-9-14)16(20)18-21/h1-9,21H,10-11H2,(H,17,19)(H,18,20)
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43 -41.6n/an/an/an/an/a7.422



Celera Genomics



Assay Description
HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...


Mol Cancer Ther 5: 1309-17 (2006)


Article DOI: 10.1158/1535-7163.MCT-05-0442
BindingDB Entry DOI: 10.7270/Q2DF6PJJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
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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48 -41.4n/an/an/an/an/a7.422



University of Notre Dame



Assay Description
To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...


J Med Chem 51: 2898-906 (2008)


Article DOI: 10.1021/jm7015254
BindingDB Entry DOI: 10.7270/Q2NC5ZG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (human))
BDBM22450
PNG
(N-hydroxy-N -(4-{(2R,4S,6R)-4-phenyl-6-[(pyridin-4...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)[C@H]1O[C@@H](CSc2ccncc2)C[C@H](O1)c1ccccc1
Show InChI InChI=1S/C30H35N3O5S/c34-28(10-6-1-2-7-11-29(35)33-36)32-24-14-12-23(13-15-24)30-37-25(21-39-26-16-18-31-19-17-26)20-27(38-30)22-8-4-3-5-9-22/h3-5,8-9,12-19,25,27,30,36H,1-2,6-7,10-11,20-21H2,(H,32,34)(H,33,35)/t25-,27+,30+/m1/s1
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88 -39.9n/an/an/an/an/a7.422



University of Notre Dame



Assay Description
To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...


J Med Chem 51: 2898-906 (2008)


Article DOI: 10.1021/jm7015254
BindingDB Entry DOI: 10.7270/Q2NC5ZG2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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995 -33.9n/an/an/an/an/a7.422



University of Notre Dame



Assay Description
To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...


J Med Chem 51: 2898-906 (2008)


Article DOI: 10.1021/jm7015254
BindingDB Entry DOI: 10.7270/Q2NC5ZG2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24623
PNG
(4-[2-({3-[(dimethylamino)methyl]-1-benzofuran-2-yl...)
Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H22N2O5/c1-23(2)13-17-16-5-3-4-6-18(16)28-19(17)20(24)22-11-12-27-15-9-7-14(8-10-15)21(25)26/h3-10H,11-13H2,1-2H3,(H,22,24)(H,25,26)
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>5.00E+4>-24.3n/an/an/an/an/a7.422



Celera Genomics



Assay Description
HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...


Mol Cancer Ther 5: 1309-17 (2006)


Article DOI: 10.1158/1535-7163.MCT-05-0442
BindingDB Entry DOI: 10.7270/Q2DF6PJJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24352
PNG
(N-(3-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(CC(O)c2cccc(Br)c2)nn1
Show InChI InChI=1S/C24H28BrN5O4/c25-19-9-5-8-18(13-19)22(31)16-30-15-21(27-29-30)17-7-6-10-20(14-17)26-23(32)11-3-1-2-4-12-24(33)28-34/h5-10,13-15,22,31,34H,1-4,11-12,16H2,(H,26,32)(H,28,33)
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n/an/a 14.9n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24353
PNG
(N-[4-(1-benzyl-1H-1,2,3-triazol-5-yl)phenyl]-N'-hy...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cnnn1Cc1ccccc1
Show InChI InChI=1S/C23H27N5O3/c29-22(10-6-1-2-7-11-23(30)26-31)25-20-14-12-19(13-15-20)21-16-24-27-28(21)17-18-8-4-3-5-9-18/h3-5,8-9,12-16,31H,1-2,6-7,10-11,17H2,(H,25,29)(H,26,30)
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n/an/a 68.3n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24354
PNG
(N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cnnn1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)16-29-21(15-25-28-29)18-9-13-20(14-10-18)26-22(30)5-3-1-2-4-6-23(31)27-32/h7-15,32H,1-6,16H2,(H,26,30)(H,27,31)
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n/an/a 52.4n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24355
PNG
(N-hydroxy-N'-[4-(1-phenyl-1H-1,2,3-triazol-5-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cnnn1-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(10-6-1-2-7-11-22(29)25-30)24-18-14-12-17(13-15-18)20-16-23-26-27(20)19-8-4-3-5-9-19/h3-5,8-9,12-16,30H,1-2,6-7,10-11H2,(H,24,28)(H,25,29)
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n/an/a 70.5n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24356
PNG
(N-(4-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cnnn1CC(O)c1cccc(Br)c1
Show InChI InChI=1S/C24H28BrN5O4/c25-19-7-5-6-18(14-19)22(31)16-30-21(15-26-29-30)17-10-12-20(13-11-17)27-23(32)8-3-1-2-4-9-24(33)28-34/h5-7,10-15,22,31,34H,1-4,8-9,16H2,(H,27,32)(H,28,33)
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n/an/a 69.9n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24357
PNG
(N-[3-(1-benzyl-1H-1,2,3-triazol-5-yl)phenyl]-N'-hy...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1Cc1ccccc1
Show InChI InChI=1S/C23H27N5O3/c29-22(13-6-1-2-7-14-23(30)26-31)25-20-12-8-11-19(15-20)21-16-24-27-28(21)17-18-9-4-3-5-10-18/h3-5,8-12,15-16,31H,1-2,6-7,13-14,17H2,(H,25,29)(H,26,30)
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n/an/a 18.6n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24358
PNG
(N-(3-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H26FN5O3/c24-19-12-10-17(11-13-19)16-29-21(15-25-28-29)18-6-5-7-20(14-18)26-22(30)8-3-1-2-4-9-23(31)27-32/h5-7,10-15,32H,1-4,8-9,16H2,(H,26,30)(H,27,31)
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n/an/a 25.9n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24359
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-5-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)24-18-10-8-9-17(15-18)20-16-23-26-27(20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,24,28)(H,25,29)
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n/an/a 33.4n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24360
PNG
(N-(3-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1CC(O)c1cccc(Br)c1
Show InChI InChI=1S/C24H28BrN5O4/c25-19-9-5-8-18(13-19)22(31)16-30-21(15-26-29-30)17-7-6-10-20(14-17)27-23(32)11-3-1-2-4-12-24(33)28-34/h5-10,13-15,22,31,34H,1-4,11-12,16H2,(H,27,32)(H,28,33)
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n/an/a 23.4n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 18n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24350
PNG
(N-(3-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-12-10-17(11-13-19)15-29-16-21(26-28-29)18-6-5-7-20(14-18)25-22(30)8-3-1-2-4-9-23(31)27-32/h5-7,10-14,16,32H,1-4,8-9,15H2,(H,25,30)(H,27,31)
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n/an/a 17.6n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24349
PNG
(N-[3-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl]-N'-hy...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C23H27N5O3/c29-22(13-6-1-2-7-14-23(30)26-31)24-20-12-8-11-19(15-20)21-17-28(27-25-21)16-18-9-4-3-5-10-18/h3-5,8-12,15,17,31H,1-2,6-7,13-14,16H2,(H,24,29)(H,26,30)
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n/an/a 14.5n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24348
PNG
(N-(4-{1-[2-(3-bromophenyl)-2-hydroxyethyl]-1H-1,2,...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(CC(O)c2cccc(Br)c2)nn1
Show InChI InChI=1S/C24H28BrN5O4/c25-19-7-5-6-18(14-19)22(31)16-30-15-21(27-29-30)17-10-12-20(13-11-17)26-23(32)8-3-1-2-4-9-24(33)28-34/h5-7,10-15,22,31,34H,1-4,8-9,16H2,(H,26,32)(H,28,33)
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n/an/a 69.2n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24347
PNG
(N-hydroxy-N'-[4-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(10-6-1-2-7-11-22(29)25-30)23-18-14-12-17(13-15-18)20-16-27(26-24-20)19-8-4-3-5-9-19/h3-5,8-9,12-16,30H,1-2,6-7,10-11H2,(H,23,28)(H,25,29)
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n/an/a 27.1n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24346
PNG
(N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)15-29-16-21(26-28-29)18-9-13-20(14-10-18)25-22(30)5-3-1-2-4-6-23(31)27-32/h7-14,16,32H,1-6,15H2,(H,25,30)(H,27,31)
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n/an/a 97.8n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM24345
PNG
(N-[4-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl]-N'-hy...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C23H27N5O3/c29-22(10-6-1-2-7-11-23(30)26-31)24-20-14-12-19(13-15-20)21-17-28(27-25-21)16-18-8-4-3-5-9-18/h3-5,8-9,12-15,17,31H,1-2,6-7,10-11,16H2,(H,24,29)(H,26,30)
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n/an/a 113n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
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 68n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 4n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
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 540n/an/an/an/a8.037



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19412
PNG
(CHEMBL235674 | benzamide-type inhibitor, 4 | pyrid...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1cccs1
Show InChI InChI=1S/C25H22N4O3S/c26-21-10-9-20(23-4-2-12-33-23)13-22(21)29-24(30)19-7-5-17(6-8-19)15-28-25(31)32-16-18-3-1-11-27-14-18/h1-14H,15-16,26H2,(H,28,31)(H,29,30)
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n/an/a 20n/an/an/an/a8.037



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19413
PNG
(CHEMBL211625 | N-(2-aminophenyl)-4-{[(3,4-dimethox...)
Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1OC
Show InChI InChI=1S/C22H23N3O3/c1-27-20-12-11-17(13-21(20)28-2)24-14-15-7-9-16(10-8-15)22(26)25-19-6-4-3-5-18(19)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
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n/an/a 440n/an/an/an/a8.037



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19414
PNG
(N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{[(3,4-dimet...)
Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2cccs2)cc1OC
Show InChI InChI=1S/C26H25N3O3S/c1-31-23-12-10-20(15-24(23)32-2)28-16-17-5-7-18(8-6-17)26(30)29-22-14-19(9-11-21(22)27)25-4-3-13-33-25/h3-15,28H,16,27H2,1-2H3,(H,29,30)
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n/an/a 50n/an/an/an/a8.037



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19415
PNG
(N-(2-amino-5-phenylphenyl)-4-{[(3,4-dimethoxypheny...)
Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cc1OC
Show InChI InChI=1S/C28H27N3O3/c1-33-26-15-13-23(17-27(26)34-2)30-18-19-8-10-21(11-9-19)28(32)31-25-16-22(12-14-24(25)29)20-6-4-3-5-7-20/h3-17,30H,18,29H2,1-2H3,(H,31,32)
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n/an/a 60n/an/an/an/a8.037



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19416
PNG
(N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{[(3,4-dimet...)
Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccsc2)cc1OC
Show InChI InChI=1S/C26H25N3O3S/c1-31-24-10-8-21(14-25(24)32-2)28-15-17-3-5-18(6-4-17)26(30)29-23-13-19(7-9-22(23)27)20-11-12-33-16-20/h3-14,16,28H,15,27H2,1-2H3,(H,29,30)
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n/an/a 50n/an/an/an/a8.037



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19417
PNG
(N-[2-amino-5-(furan-3-yl)phenyl]-4-{[(3,4-dimethox...)
Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccoc2)cc1OC
Show InChI InChI=1S/C26H25N3O4/c1-31-24-10-8-21(14-25(24)32-2)28-15-17-3-5-18(6-4-17)26(30)29-23-13-19(7-9-22(23)27)20-11-12-33-16-20/h3-14,16,28H,15,27H2,1-2H3,(H,29,30)
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n/an/a 50n/an/an/an/a8.037



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19418
PNG
(N-[2-amino-5-(1-benzothiophen-2-yl)phenyl]-4-{[(3,...)
Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2cc3ccccc3s2)cc1OC
Show InChI InChI=1S/C30H27N3O3S/c1-35-26-14-12-23(17-27(26)36-2)32-18-19-7-9-20(10-8-19)30(34)33-25-15-22(11-13-24(25)31)29-16-21-5-3-4-6-28(21)37-29/h3-17,32H,18,31H2,1-2H3,(H,33,34)
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n/an/a>1.00E+4n/an/an/an/a8.037



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19419
PNG
(N-[2-amino-4-(thiophen-2-yl)phenyl]-4-{[(3,4-dimet...)
Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccc(cc2N)-c2cccs2)cc1OC
Show InChI InChI=1S/C26H25N3O3S/c1-31-23-12-10-20(15-24(23)32-2)28-16-17-5-7-18(8-6-17)26(30)29-22-11-9-19(14-21(22)27)25-4-3-13-33-25/h3-15,28H,16,27H2,1-2H3,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/a8.037



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19420
PNG
(4-{[(3,4-dimethoxyphenyl)amino]methyl}-N-(2-hydrox...)
Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2O)cc1OC
Show InChI InChI=1S/C22H22N2O4/c1-27-20-12-11-17(13-21(20)28-2)23-14-15-7-9-16(10-8-15)22(26)24-18-5-3-4-6-19(18)25/h3-13,23,25H,14H2,1-2H3,(H,24,26)
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n/an/a 300n/an/an/an/a8.037



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19421
PNG
(4-{[(3,4-dimethoxyphenyl)amino]methyl}-N-[2-hydrox...)
Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2O)-c2cccs2)cc1OC
Show InChI InChI=1S/C26H24N2O4S/c1-31-23-12-10-20(15-24(23)32-2)27-16-17-5-7-18(8-6-17)26(30)28-21-14-19(9-11-22(21)29)25-4-3-13-33-25/h3-15,27,29H,16H2,1-2H3,(H,28,30)
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n/an/a 40n/an/an/an/a8.037



MethylGene Inc



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5543-6 (2007)


Article DOI: 10.1021/jm701079h
BindingDB Entry DOI: 10.7270/Q2445JS2
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 21n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19131
PNG
(CHEMBL419758 | JMC505425 Compound 7 | N-(4-phenyl-...)
Show SMILES SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19)
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n/an/a 48n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19132
PNG
(tert-butyl N-[(1S)-1-[(3-phenylphenyl)carbamoyl]-6...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C24H32N2O3S/c1-24(2,3)29-23(28)26-21(15-8-5-9-16-30)22(27)25-20-14-10-13-19(17-20)18-11-6-4-7-12-18/h4,6-7,10-14,17,21,30H,5,8-9,15-16H2,1-3H3,(H,25,27)(H,26,28)/t21-/m0/s1
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n/an/a 62n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19133
PNG
(tert-butyl N-[(1S)-1-(quinolin-3-ylcarbamoyl)-6-su...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C21H29N3O3S/c1-21(2,3)27-20(26)24-18(11-5-4-8-12-28)19(25)23-16-13-15-9-6-7-10-17(15)22-14-16/h6-7,9-10,13-14,18,28H,4-5,8,11-12H2,1-3H3,(H,23,25)(H,24,26)/t18-/m0/s1
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n/an/a 51n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19134
PNG
(CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1
Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1
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n/an/a 1.21E+3n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19135
PNG
(CHEMBL209551 | tert-butyl N-[(1S)-1-(cyclohexylcar...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1
Show InChI InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
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n/an/a 1.27E+3n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19136
PNG
(CHEMBL379049 | tert-butyl N-[(1S)-1-(cycloheptylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C19H36N2O3S/c1-19(2,3)24-18(23)21-16(13-9-6-10-14-25)17(22)20-15-11-7-4-5-8-12-15/h15-16,25H,4-14H2,1-3H3,(H,20,22)(H,21,23)/t16-/m0/s1
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n/an/a 900n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19137
PNG
(tert-butyl N-[(1S)-1-(tert-butylcarbamoyl)-6-sulfa...)
Show SMILES CC(C)(C)NC(=O)[C@H](CCCCCS)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C16H32N2O3S/c1-15(2,3)18-13(19)12(10-8-7-9-11-22)17-14(20)21-16(4,5)6/h12,22H,7-11H2,1-6H3,(H,17,20)(H,18,19)/t12-/m0/s1
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n/an/a 3.00E+3n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19138
PNG
(tert-butyl N-[(1S)-1-(adamantan-1-ylcarbamoyl)-6-s...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H38N2O3S/c1-21(2,3)27-20(26)23-18(7-5-4-6-8-28)19(25)24-22-12-15-9-16(13-22)11-17(10-15)14-22/h15-18,28H,4-14H2,1-3H3,(H,23,26)(H,24,25)/t15?,16?,17?,18-,22?/m0/s1
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n/an/a 3.80E+3n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19139
PNG
((2S)-2-amino-N-cyclopentyl-7-sulfanylheptanamide |...)
Show SMILES N[C@@H](CCCCCS)C(=O)NC1CCCC1
Show InChI InChI=1S/C12H24N2OS/c13-11(8-2-1-5-9-16)12(15)14-10-6-3-4-7-10/h10-11,16H,1-9,13H2,(H,14,15)/t11-/m0/s1
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n/an/a 5.23E+4n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM19140
PNG
((2S)-N-cyclopentyl-2-(phenylformamido)-7-sulfanylh...)
Show SMILES SCCCCC[C@H](NC(=O)c1ccccc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H28N2O2S/c22-18(15-9-3-1-4-10-15)21-17(13-5-2-8-14-24)19(23)20-16-11-6-7-12-16/h1,3-4,9-10,16-17,24H,2,5-8,11-14H2,(H,20,23)(H,21,22)/t17-/m0/s1
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n/an/a 560n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
BindingDB Entry DOI: 10.7270/Q2XK8CT6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
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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Article
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n/an/a 775n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (human))
BDBM19151
PNG
((1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propa...)
Show SMILES C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C
Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
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n/an/a 3.97n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
BindingDB Entry DOI: 10.7270/Q2ST7N4B
More data for this
Ligand-Target Pair
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