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Compile Data Set for Download or QSAR

Found 15323 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase'   
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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PubMed
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 3/NCoR1


(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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PubMed
8.20 -45.7n/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


(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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17 -43.9n/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


(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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19 -43.6n/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


(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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21 -43.4n/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
Histone Deacetylase 10 (HDAC10)


(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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24 -43.1n/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


(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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28 -42.7n/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))
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


(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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142 -38.7n/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 8


(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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280 -37.0n/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))
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 8


(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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2.00E+3 -32.2n/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 8


(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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6.10E+3 -29.5n/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 8


(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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Article
PubMed
6.30E+3 -29.4n/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
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


(Homo sapiens (human))
BDBM110131
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(4-m...)
Show SMILES CN1CCN(C(C1)c1ccccc1)c1ncc(cn1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C23H32N6O3/c1-28-13-14-29(20(17-28)18-9-5-4-6-10-18)23-25-15-19(16-26-23)22(31)24-12-8-3-2-7-11-21(30)27-32/h4-6,9-10,15-16,20,32H,2-3,7-8,11-14,17H2,1H3,(H,24,31)(H,27,30)
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n/an/a 51n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110132
PNG
(US8609678, 2-(4-(4-fluorophenyl)piperazin-1-yl)-N-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6O3/c23-18-6-8-19(9-7-18)28-11-13-29(14-12-28)22-25-15-17(16-26-22)21(31)24-10-4-2-1-3-5-20(30)27-32/h6-9,15-16,32H,1-5,10-14H2,(H,24,31)(H,27,30)
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n/an/a 52n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110133
PNG
(US8609678, 2-(1,4-diazepan-1-yl)-N-(7-(hydroxyamin...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N1CCCNCC1
Show InChI InChI=1S/C17H28N6O3/c24-15(22-26)6-3-1-2-4-8-19-16(25)14-12-20-17(21-13-14)23-10-5-7-18-9-11-23/h12-13,18,26H,1-11H2,(H,19,25)(H,22,24)
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n/an/a 34n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110134
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(pip...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N1CCCCC1
Show InChI InChI=1S/C17H27N5O3/c23-15(21-25)8-4-1-2-5-9-18-16(24)14-12-19-17(20-13-14)22-10-6-3-7-11-22/h12-13,25H,1-11H2,(H,18,24)(H,21,23)
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n/an/a 23n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110135
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(4-m...)
Show SMILES CN1CCN(CC1)c1ncc(cn1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H28N6O3/c1-22-8-10-23(11-9-22)17-19-12-14(13-20-17)16(25)18-7-5-3-2-4-6-15(24)21-26/h12-13,26H,2-11H2,1H3,(H,18,25)(H,21,24)
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n/an/a 87n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110068
PNG
(US8609678, 4-(1-(4-fluorophenyl)-1-methoxyethyl)-N...)
Show SMILES COC(C)(c1ccc(F)cc1)c1ccc(cc1)C(=O)N(C)CCCCCCC(=O)NO
Show InChI InChI=1S/C24H31FN2O4/c1-24(31-3,20-13-15-21(25)16-14-20)19-11-9-18(10-12-19)23(29)27(2)17-7-5-4-6-8-22(28)26-30/h9-16,30H,4-8,17H2,1-3H3,(H,26,28)
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n/an/a 187n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110069
PNG
(US8609678, 4-(1-hydroxy-1-(pyridin-2-yl)ethyl)-N-(...)
Show SMILES CC(O)(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1ccccn1
Show InChI InChI=1S/C21H27N3O4/c1-21(27,18-8-5-7-14-22-18)17-12-10-16(11-13-17)20(26)23-15-6-3-2-4-9-19(25)24-28/h5,7-8,10-14,27-28H,2-4,6,9,15H2,1H3,(H,23,26)(H,24,25)
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n/an/a 134n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110070
PNG
(US8609678, 4-(1-hydroxy-1-(pyridin-2-yl)ethyl)-N-(...)
Show SMILES CN(CCCCCCC(=O)NO)C(=O)c1ccc(cc1)C(C)(O)c1ccccn1
Show InChI InChI=1S/C22H29N3O4/c1-22(28,19-9-6-7-15-23-19)18-13-11-17(12-14-18)21(27)25(2)16-8-4-3-5-10-20(26)24-29/h6-7,9,11-15,28-29H,3-5,8,10,16H2,1-2H3,(H,24,26)
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n/an/a 501n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110071
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-4-(1-m...)
Show SMILES COC(C)(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1ccccn1
Show InChI InChI=1S/C22H29N3O4/c1-22(29-2,19-9-6-8-15-23-19)18-13-11-17(12-14-18)21(27)24-16-7-4-3-5-10-20(26)25-28/h6,8-9,11-15,28H,3-5,7,10,16H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 53n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110072
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-4-(1-m...)
Show SMILES COC(C)(c1ccc(cc1)C(=O)N(C)CCCCCCC(=O)NO)c1ccccn1
Show InChI InChI=1S/C23H31N3O4/c1-23(30-3,20-10-7-8-16-24-20)19-14-12-18(13-15-19)22(28)26(2)17-9-5-4-6-11-21(27)25-29/h7-8,10,12-16,29H,4-6,9,11,17H2,1-3H3,(H,25,27)
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n/an/a 433n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110073
PNG
(US8609678, 4-(bis(2-fluorophenyl)(hydroxy)methyl)-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C(O)(c1ccccc1F)c1ccccc1F
Show InChI InChI=1S/C27H28F2N2O4/c28-23-11-6-4-9-21(23)27(34,22-10-5-7-12-24(22)29)20-16-14-19(15-17-20)26(33)30-18-8-2-1-3-13-25(32)31-35/h4-7,9-12,14-17,34-35H,1-3,8,13,18H2,(H,30,33)(H,31,32)
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n/an/a 74n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110074
PNG
(US8609678, 4-(bis(2-fluorophenyl)(hydroxy)methyl)-...)
Show SMILES CN(CCCCCCC(=O)NO)C(=O)c1ccc(cc1)C(O)(c1ccccc1F)c1ccccc1F
Show InChI InChI=1S/C28H30F2N2O4/c1-32(19-9-3-2-4-14-26(33)31-36)27(34)20-15-17-21(18-16-20)28(35,22-10-5-7-12-24(22)29)23-11-6-8-13-25(23)30/h5-8,10-13,15-18,35-36H,2-4,9,14,19H2,1H3,(H,31,33)
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n/an/a 132n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110075
PNG
(US8609678, 4-(bis(2-fluorophenyl)(methoxy)methyl)-...)
Show SMILES COC(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)(c1ccccc1F)c1ccccc1F
Show InChI InChI=1S/C28H30F2N2O4/c1-36-28(22-10-5-7-12-24(22)29,23-11-6-8-13-25(23)30)21-17-15-20(16-18-21)27(34)31-19-9-3-2-4-14-26(33)32-35/h5-8,10-13,15-18,35H,2-4,9,14,19H2,1H3,(H,31,34)(H,32,33)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110076
PNG
(US8609678, 4-(bis(2-fluorophenyl)(methoxy)methyl)-...)
Show SMILES COC(c1ccc(cc1)C(=O)N(C)CCCCCCC(=O)NO)(c1ccccc1F)c1ccccc1F
Show InChI InChI=1S/C29H32F2N2O4/c1-33(20-10-4-3-5-15-27(34)32-36)28(35)21-16-18-22(19-17-21)29(37-2,23-11-6-8-13-25(23)30)24-12-7-9-14-26(24)31/h6-9,11-14,16-19,36H,3-5,10,15,20H2,1-2H3,(H,32,34)
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n/an/a 396n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110077
PNG
(US8609678, 4-(bis(2,4-difluorophenyl)(hydroxy)meth...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C(O)(c1ccc(F)cc1F)c1ccc(F)cc1F
Show InChI InChI=1S/C27H26F4N2O4/c28-19-10-12-21(23(30)15-19)27(36,22-13-11-20(29)16-24(22)31)18-8-6-17(7-9-18)26(35)32-14-4-2-1-3-5-25(34)33-37/h6-13,15-16,36-37H,1-5,14H2,(H,32,35)(H,33,34)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110078
PNG
(US8609678, 4-(bis(2,4-difluorophenyl)(hydroxy)meth...)
Show SMILES CN(CCCCCCC(=O)NO)C(=O)c1ccc(cc1)C(O)(c1ccc(F)cc1F)c1ccc(F)cc1F
Show InChI InChI=1S/C28H28F4N2O4/c1-34(15-5-3-2-4-6-26(35)33-38)27(36)18-7-9-19(10-8-18)28(37,22-13-11-20(29)16-24(22)31)23-14-12-21(30)17-25(23)32/h7-14,16-17,37-38H,2-6,15H2,1H3,(H,33,35)
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n/an/a 172n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110079
PNG
(US8609678, 4-(bis(2,4-difluorophenyl)(methoxy)meth...)
Show SMILES COC(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)(c1ccc(F)cc1F)c1ccc(F)cc1F
Show InChI InChI=1S/C28H28F4N2O4/c1-38-28(22-13-11-20(29)16-24(22)31,23-14-12-21(30)17-25(23)32)19-9-7-18(8-10-19)27(36)33-15-5-3-2-4-6-26(35)34-37/h7-14,16-17,37H,2-6,15H2,1H3,(H,33,36)(H,34,35)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110080
PNG
(US8609678, 4-(bis(2,4-difluorophenyl)(methoxy)meth...)
Show SMILES COC(c1ccc(cc1)C(=O)N(C)CCCCCCC(=O)NO)(c1ccc(F)cc1F)c1ccc(F)cc1F
Show InChI InChI=1S/C29H30F4N2O4/c1-35(16-6-4-3-5-7-27(36)34-38)28(37)19-8-10-20(11-9-19)29(39-2,23-14-12-21(30)17-25(23)32)24-15-13-22(31)18-26(24)33/h8-15,17-18,38H,3-7,16H2,1-2H3,(H,34,36)
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n/an/a 1.34E+3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110081
PNG
(US8609678, 4-(bis(3,5-difluorophenyl)(hydroxy)meth...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C(O)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C27H26F4N2O4/c28-21-11-19(12-22(29)15-21)27(36,20-13-23(30)16-24(31)14-20)18-8-6-17(7-9-18)26(35)32-10-4-2-1-3-5-25(34)33-37/h6-9,11-16,36-37H,1-5,10H2,(H,32,35)(H,33,34)
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n/an/a 208n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110082
PNG
(US8609678, 4-(bis(3,5-difluorophenyl)(hydroxy)meth...)
Show SMILES CN(CCCCCCC(=O)NO)C(=O)c1ccc(cc1)C(O)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C28H28F4N2O4/c1-34(11-5-3-2-4-6-26(35)33-38)27(36)18-7-9-19(10-8-18)28(37,20-12-22(29)16-23(30)13-20)21-14-24(31)17-25(32)15-21/h7-10,12-17,37-38H,2-6,11H2,1H3,(H,33,35)
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n/an/a 186n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110083
PNG
(US8609678, 4-(bis(3,5-difluorophenyl)(hydroxy)meth...)
Show SMILES COC(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C28H28F4N2O4/c1-38-28(20-12-22(29)16-23(30)13-20,21-14-24(31)17-25(32)15-21)19-9-7-18(8-10-19)27(36)33-11-5-3-2-4-6-26(35)34-37/h7-10,12-17,37H,2-6,11H2,1H3,(H,33,36)(H,34,35)
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n/an/a 679n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110084
PNG
(US8609678, 4-(bis(3,5-difluorophenyl)(methoxy)meth...)
Show SMILES COC(c1ccc(cc1)C(=O)N(C)CCCCCCC(=O)NO)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C29H30F4N2O4/c1-35(12-6-4-3-5-7-27(36)34-38)28(37)19-8-10-20(11-9-19)29(39-2,21-13-23(30)17-24(31)14-21)22-15-25(32)18-26(33)16-22/h8-11,13-18,38H,3-7,12H2,1-2H3,(H,34,36)
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n/an/a 873n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110085
PNG
(US8609678, 4-(bis(4-fluoro-2-methylphenyl)(hydroxy...)
Show SMILES Cc1cc(F)ccc1C(O)(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1ccc(F)cc1C
Show InChI InChI=1S/C29H32F2N2O4/c1-19-17-23(30)12-14-25(19)29(36,26-15-13-24(31)18-20(26)2)22-10-8-21(9-11-22)28(35)32-16-6-4-3-5-7-27(34)33-37/h8-15,17-18,36-37H,3-7,16H2,1-2H3,(H,32,35)(H,33,34)
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n/an/a 854n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110086
PNG
(US8609678, 4-(bis(4-fluoro-2-methylphenyl)(methoxy...)
Show SMILES COC(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)(c1ccc(F)cc1C)c1ccc(F)cc1C
Show InChI InChI=1S/C30H34F2N2O4/c1-20-18-24(31)13-15-26(20)30(38-3,27-16-14-25(32)19-21(27)2)23-11-9-22(10-12-23)29(36)33-17-7-5-4-6-8-28(35)34-37/h9-16,18-19,37H,4-8,17H2,1-3H3,(H,33,36)(H,34,35)
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n/an/a 2.36E+3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110087
PNG
(US8609678, 4-((4-fluorophenyl)(hydroxy)(pyridin-2-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C(O)(c1ccc(F)cc1)c1ccccn1
Show InChI InChI=1S/C26H28FN3O4/c27-22-15-13-21(14-16-22)26(33,23-7-4-6-17-28-23)20-11-9-19(10-12-20)25(32)29-18-5-2-1-3-8-24(31)30-34/h4,6-7,9-17,33-34H,1-3,5,8,18H2,(H,29,32)(H,30,31)
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n/an/a 80n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110088
PNG
(US8609678, 4-((4-fluorophenyl)(hydroxy)(pyridin-2-...)
Show SMILES CN(CCCCCCC(=O)NO)C(=O)c1ccc(cc1)C(O)(c1ccc(F)cc1)c1ccccn1
Show InChI InChI=1S/C27H30FN3O4/c1-31(19-7-3-2-4-9-25(32)30-35)26(33)20-10-12-21(13-11-20)27(34,24-8-5-6-18-29-24)22-14-16-23(28)17-15-22/h5-6,8,10-18,34-35H,2-4,7,9,19H2,1H3,(H,30,32)
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n/an/a 284n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110089
PNG
(US8609678, 4-((4-fluorophenyl)(methoxy)(pyridin-2-...)
Show SMILES COC(c1ccc(F)cc1)(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1ccccn1
Show InChI InChI=1S/C27H30FN3O4/c1-35-27(24-8-5-7-18-29-24,22-14-16-23(28)17-15-22)21-12-10-20(11-13-21)26(33)30-19-6-3-2-4-9-25(32)31-34/h5,7-8,10-18,34H,2-4,6,9,19H2,1H3,(H,30,33)(H,31,32)
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n/an/a 80n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110090
PNG
(US8609678, 4-((4-fluorophenyl)(methoxy)(pyridin-2-...)
Show SMILES COC(c1ccc(F)cc1)(c1ccc(cc1)C(=O)N(C)CCCCCCC(=O)NO)c1ccccn1
Show InChI InChI=1S/C28H32FN3O4/c1-32(20-8-4-3-5-10-26(33)31-35)27(34)21-11-13-22(14-12-21)28(36-2,25-9-6-7-19-30-25)23-15-17-24(29)18-16-23/h6-7,9,11-19,35H,3-5,8,10,20H2,1-2H3,(H,31,33)
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n/an/a 361n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110091
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-4-(hyd...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C(O)(c1nccs1)c1nccs1
Show InChI InChI=1S/C21H24N4O4S2/c26-17(25-29)5-3-1-2-4-10-22-18(27)15-6-8-16(9-7-15)21(28,19-23-11-13-30-19)20-24-12-14-31-20/h6-9,11-14,28-29H,1-5,10H2,(H,22,27)(H,25,26)
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n/an/a 141n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110092
PNG
(US8609678, 3-(bis(4-fluorophenyl)(hydroxy)methyl)-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cccc(c1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N2O4/c28-23-13-9-20(10-14-23)27(34,21-11-15-24(29)16-12-21)22-7-5-6-19(18-22)26(33)30-17-4-2-1-3-8-25(32)31-35/h5-7,9-16,18,34-35H,1-4,8,17H2,(H,30,33)(H,31,32)
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n/an/a 63n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110093
PNG
(US8609678, 3-(bis(4-fluorophenyl)(hydroxy)methyl)-...)
Show SMILES CN(CCCCCCC(=O)NO)C(=O)c1cccc(c1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O4/c1-32(18-5-3-2-4-9-26(33)31-36)27(34)20-7-6-8-23(19-20)28(35,21-10-14-24(29)15-11-21)22-12-16-25(30)17-13-22/h6-8,10-17,19,35-36H,2-5,9,18H2,1H3,(H,31,33)
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n/an/a 349n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
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