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Compile Data Set for Download or QSAR

Found 21 hits of ph data with Target = 'Histone deacetylase 8'   
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 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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Article
PubMed
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 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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Article
PubMed
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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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 8


(Homo sapiens (human))
BDBM27178
PNG
(6-{4-[4-({[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,1...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C44H74N6O11/c1-11-35-44(8,57)39(54)30(6)48(9)23-26(2)22-43(7,56)40(28(4)37(52)29(5)41(55)60-35)61-42-38(53)34(21-27(3)59-42)49(10)24-31-16-18-32(19-17-31)33-25-50(47-45-33)20-14-12-13-15-36(51)46-58/h16-19,25-30,34-35,37-40,42,52-54,56-58H,11-15,20-24H2,1-10H3,(H,46,51)/t26-,27-,28+,29-,30-,34+,35-,37+,38-,39-,40-,42+,43-,44-/m1/s1
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n/an/a 3.74E+3n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM27179
PNG
(triazole-linked azithromycin-based compound, 16c)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C53H90N6O14/c1-14-41-53(10,66)46(62)35(6)57(11)28-31(2)26-51(8,65)48(33(4)45(34(5)49(64)71-41)72-43-27-52(9,68-13)47(63)36(7)70-43)73-50-44(61)40(25-32(3)69-50)58(12)29-37-20-22-38(23-21-37)39-30-59(56-54-39)24-18-16-15-17-19-42(60)55-67/h20-23,30-36,40-41,43-48,50,61-63,65-67H,14-19,24-29H2,1-13H3,(H,55,60)/t31-,32-,33+,34-,35-,36+,40+,41-,43+,44-,45+,46-,47+,48-,50+,51-,52-,53-/m1/s1
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n/an/a 994n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM27180
PNG
(7-{4-[4-({[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,1...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C45H76N6O11/c1-11-36-45(8,58)40(55)31(6)49(9)24-27(2)23-44(7,57)41(29(4)38(53)30(5)42(56)61-36)62-43-39(54)35(22-28(3)60-43)50(10)25-32-17-19-33(20-18-32)34-26-51(48-46-34)21-15-13-12-14-16-37(52)47-59/h17-20,26-31,35-36,38-41,43,53-55,57-59H,11-16,21-25H2,1-10H3,(H,47,52)/t27-,28-,29+,30-,31-,35+,36-,38+,39-,40-,41-,43+,44-,45-/m1/s1
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n/an/a 1.02E+3n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM27181
PNG
(triazole-linked azithromycin-based compound, 16e)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C54H92N6O14/c1-14-42-54(10,67)47(63)36(6)58(11)29-32(2)27-52(8,66)49(34(4)46(35(5)50(65)72-42)73-44-28-53(9,69-13)48(64)37(7)71-44)74-51-45(62)41(26-33(3)70-51)59(12)30-38-21-23-39(24-22-38)40-31-60(57-55-40)25-19-17-15-16-18-20-43(61)56-68/h21-24,31-37,41-42,44-49,51,62-64,66-68H,14-20,25-30H2,1-13H3,(H,56,61)/t32-,33-,34+,35-,36-,37+,41+,42-,44+,45-,46+,47-,48+,49-,51+,52-,53-,54-/m1/s1
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n/an/a 7.13E+3n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM27182
PNG
(8-{4-[4-({[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,1...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C46H78N6O11/c1-11-37-46(8,59)41(56)32(6)50(9)25-28(2)24-45(7,58)42(30(4)39(54)31(5)43(57)62-37)63-44-40(55)36(23-29(3)61-44)51(10)26-33-18-20-34(21-19-33)35-27-52(49-47-35)22-16-14-12-13-15-17-38(53)48-60/h18-21,27-32,36-37,39-42,44,54-56,58-60H,11-17,22-26H2,1-10H3,(H,48,53)/t28-,29-,30+,31-,32-,36+,37-,39+,40-,41-,42-,44+,45-,46-/m1/s1
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n/an/a 6.78E+3n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM27183
PNG
(triazole-linked azithromycin-based compound, 16g)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C55H94N6O14/c1-14-43-55(10,68)48(64)37(6)59(11)30-33(2)28-53(8,67)50(35(4)47(36(5)51(66)73-43)74-45-29-54(9,70-13)49(65)38(7)72-45)75-52-46(63)42(27-34(3)71-52)60(12)31-39-22-24-40(25-23-39)41-32-61(58-56-41)26-20-18-16-15-17-19-21-44(62)57-69/h22-25,32-38,42-43,45-50,52,63-65,67-69H,14-21,26-31H2,1-13H3,(H,57,62)/t33-,34-,35+,36-,37-,38+,42+,43-,45+,46-,47+,48-,49+,50-,52+,53-,54-,55-/m1/s1
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n/an/a 1.11E+4n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM27185
PNG
(triazole-linked clarithromycin-based compound, 24a)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
Show InChI InChI=1S/C52H85N5O15/c1-14-39-52(10,64)45(61)31(4)42(59)29(2)25-51(9,67-13)47(32(5)44(33(6)48(63)70-39)71-41-26-50(8,66-12)46(62)34(7)69-41)72-49-43(60)38(24-30(3)68-49)56(11)27-35-19-21-36(22-20-35)37-28-57(55-53-37)23-17-15-16-18-40(58)54-65/h19-22,28-34,38-39,41,43-47,49,60-62,64-65H,14-18,23-27H2,1-13H3,(H,54,58)/t29-,30-,31+,32+,33-,34+,38+,39-,41+,43-,44+,45-,46+,47-,49+,50-,51-,52-/m1/s1
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n/an/a 3.99E+3n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM27186
PNG
(triazole-linked clarithromycin-based compound, 24b)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
Show InChI InChI=1S/C44H71N5O12/c1-11-34-44(8,56)39(54)27(4)36(51)25(2)22-43(7,58-10)40(28(5)37(52)29(6)41(55)60-34)61-42-38(53)33(21-26(3)59-42)48(9)23-30-16-18-31(19-17-30)32-24-49(47-45-32)20-14-12-13-15-35(50)46-57/h16-19,24-29,33-34,37-40,42,52-54,56-57H,11-15,20-23H2,1-10H3,(H,46,50)/t25-,26-,27+,28+,29-,33+,34-,37+,38-,39-,40-,42+,43-,44-/m1/s1
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n/an/a 4.75E+3n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
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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n/an/a 1.70E+3n/an/an/an/a8.037



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 51: 2350-3 (2008)


Article DOI: 10.1021/jm800079s
BindingDB Entry DOI: 10.7270/Q2W957H9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(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>1.00E+4n/an/an/an/a8.037



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 51: 2350-3 (2008)


Article DOI: 10.1021/jm800079s
BindingDB Entry DOI: 10.7270/Q2W957H9
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM25146
PNG
(2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo...)
Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc(c[nH]3)-c3ccccc3)c2c1
Show InChI InChI=1S/C29H34N4O3/c1-19(34)10-6-4-9-13-26(29-30-18-27(33-29)21-11-7-5-8-12-21)32-28(35)17-23-20(2)31-25-15-14-22(36-3)16-24(23)25/h5,7-8,11-12,14-16,18,26,31H,4,6,9-10,13,17H2,1-3H3,(H,30,33)(H,32,35)/t26-/m0/s1
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n/an/a>5.00E+3n/an/an/an/a8.037



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 51: 2350-3 (2008)


Article DOI: 10.1021/jm800079s
BindingDB Entry DOI: 10.7270/Q2W957H9
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM25147
PNG
(N-[(1S)-1-(6-chloro-1H-1,3-benzodiazol-2-yl)-7-oxo...)
Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc4ccc(Cl)cc4[nH]3)c2c1
Show InChI InChI=1S/C27H31ClN4O3/c1-16(33)7-5-4-6-8-24(27-31-23-11-9-18(28)13-25(23)32-27)30-26(34)15-20-17(2)29-22-12-10-19(35-3)14-21(20)22/h9-14,24,29H,4-8,15H2,1-3H3,(H,30,34)(H,31,32)/t24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a8.037



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 51: 2350-3 (2008)


Article DOI: 10.1021/jm800079s
BindingDB Entry DOI: 10.7270/Q2W957H9
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM27177
PNG
(triazole-linked azithromycin-based compound, 16a)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C52H88N6O14/c1-14-40-52(10,65)45(61)34(6)56(11)27-30(2)25-50(8,64)47(32(4)44(33(5)48(63)70-40)71-42-26-51(9,67-13)46(62)35(7)69-42)72-49-43(60)39(24-31(3)68-49)57(12)28-36-19-21-37(22-20-36)38-29-58(55-53-38)23-17-15-16-18-41(59)54-66/h19-22,29-35,39-40,42-47,49,60-62,64-66H,14-18,23-28H2,1-13H3,(H,54,59)/t30-,31-,32+,33-,34-,35+,39+,40-,42+,43-,44+,45-,46+,47-,49+,50-,51-,52-/m1/s1
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n/an/a 4.73E+3n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM27176
PNG
(Desclasinose Azithromycinarylalkyl Hydroxamate, 10)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C44H76N4O12/c1-11-34-44(8,56)39(53)30(6)47(9)24-26(2)23-43(7,55)40(28(4)37(51)29(5)41(54)59-34)60-42-38(52)33(22-27(3)58-42)48(10)25-31-18-20-32(21-19-31)45-35(49)16-14-12-13-15-17-36(50)46-57/h18-21,26-30,33-34,37-40,42,51-53,55-57H,11-17,22-25H2,1-10H3,(H,45,49)(H,46,50)/t26-,27-,28+,29-,30-,33+,34-,37+,38-,39-,40-,42+,43-,44-/m1/s1
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n/an/a 2.32E+3n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM27175
PNG
(Azithromycinarylalkylhydroxamic Acid, 8)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C52H90N4O15/c1-14-39-52(10,64)45(60)34(6)55(11)28-30(2)26-50(8,63)47(32(4)44(33(5)48(62)69-39)70-42-27-51(9,66-13)46(61)35(7)68-42)71-49-43(59)38(25-31(3)67-49)56(12)29-36-21-23-37(24-22-36)53-40(57)19-17-15-16-18-20-41(58)54-65/h21-24,30-35,38-39,42-47,49,59-61,63-65H,14-20,25-29H2,1-13H3,(H,53,57)(H,54,58)/t30-,31-,32+,33-,34-,35+,38+,39-,42+,43-,44+,45-,46+,47-,49+,50-,51-,52-/m1/s1
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n/an/a 6.68E+3n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM25148
PNG
(2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo...)
Show SMILES CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C30H36N4O3/c1-4-22(35)13-9-6-10-14-27(30-31-19-28(34-30)21-11-7-5-8-12-21)33-29(36)18-24-20(2)32-26-16-15-23(37-3)17-25(24)26/h5,7-8,11-12,15-17,19,27,32H,4,6,9-10,13-14,18H2,1-3H3,(H,31,34)(H,33,36)/t27-/m0/s1
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IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


J Med Chem 51: 2350-3 (2008)


Article DOI: 10.1021/jm800079s
BindingDB Entry DOI: 10.7270/Q2W957H9
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a>1.00E+4n/an/an/an/a8.037



MethylGene Inc.



Assay Description
The HDAC enzyme in vitro assay was based on a homogeneous fluorescence release assay. Purified recombinant HDAC enzymes were incubated with compounds...


J Med Chem 51: 4072-5 (2008)


Article DOI: 10.1021/jm800251w
BindingDB Entry DOI: 10.7270/Q28P5XTT
More data for this
Ligand-Target Pair