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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'sodji' and Initial = 'q'   
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 6


(Homo sapiens (Human))
BDBM50080005
PNG
(CHEMBL3415965)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C23H30N8O4/c24-23-29-20-19(22(34)30-23)28-17(14-27-20)13-26-16-10-8-15(9-11-16)21(33)25-12-6-4-2-1-3-5-7-18(32)31-35/h8-11,14,26,35H,1-7,12-13H2,(H,25,33)(H,31,32)(H3,24,27,29,30,34)
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n/an/a 10n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 10n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 4826-30 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.060
BindingDB Entry DOI: 10.7270/Q2HX1F7G
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50080007
PNG
(CHEMBL3415963)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C21H26N8O4/c22-21-27-18-17(20(32)28-21)26-15(12-25-18)11-24-14-8-6-13(7-9-14)19(31)23-10-4-2-1-3-5-16(30)29-33/h6-9,12,24,33H,1-5,10-11H2,(H,23,31)(H,29,30)(H3,22,25,27,28,32)
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n/an/a 12n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 15n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Bioorg Med Chem Lett 24: 4826-30 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.060
BindingDB Entry DOI: 10.7270/Q2HX1F7G
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50080006
PNG
(CHEMBL3415964)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C22H28N8O4/c23-22-28-19-18(21(33)29-22)27-16(13-26-19)12-25-15-9-7-14(8-10-15)20(32)24-11-5-3-1-2-4-6-17(31)30-34/h7-10,13,25,34H,1-6,11-12H2,(H,24,32)(H,30,31)(H3,23,26,28,29,33)
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n/an/a 16n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50080008
PNG
(CHEMBL3415959)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C14H13N7O3/c15-14-19-11-10(13(23)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)12(22)21-24/h1-4,6,16,24H,5H2,(H,21,22)(H3,15,17,19,20,23)
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n/an/a 18n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50080007
PNG
(CHEMBL3415963)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C21H26N8O4/c22-21-27-18-17(20(32)28-21)26-15(12-25-18)11-24-14-8-6-13(7-9-14)19(31)23-10-4-2-1-3-5-16(30)29-33/h6-9,12,24,33H,1-5,10-11H2,(H,23,31)(H,29,30)(H3,22,25,27,28,32)
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n/an/a 23n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
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 38n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
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 38n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) at 10 uM after 60 mins by SAMDI spectrophotometric analysis relative to control


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50080071
PNG
(CHEMBL3415962)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C20H24N8O4/c21-20-26-17-16(19(31)27-20)25-14(11-24-17)10-23-13-7-5-12(6-8-13)18(30)22-9-3-1-2-4-15(29)28-32/h5-8,11,23,32H,1-4,9-10H2,(H,22,30)(H,28,29)(H3,21,24,26,27,31)
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n/an/a 44n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50080006
PNG
(CHEMBL3415964)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C22H28N8O4/c23-22-28-19-18(21(33)29-22)27-16(13-26-19)12-25-15-9-7-14(8-10-15)20(32)24-11-5-3-1-2-4-6-17(31)30-34/h7-10,13,25,34H,1-6,11-12H2,(H,24,32)(H,30,31)(H3,23,26,28,29,33)
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n/an/a 55n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50080071
PNG
(CHEMBL3415962)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C20H24N8O4/c21-20-26-17-16(19(31)27-20)25-14(11-24-17)10-23-13-7-5-12(6-8-13)18(30)22-9-3-1-2-4-15(29)28-32/h5-8,11,23,32H,1-4,9-10H2,(H,22,30)(H,28,29)(H3,21,24,26,27,31)
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n/an/a 80n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50080004
PNG
(CHEMBL3415968)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCC(=O)NO)C(O)=O)nc2c(=O)[nH]1 |r|
Show InChI InChI=1/C26H33N9O7/c27-26-33-22-21(24(39)34-26)31-17(14-30-22)13-29-16-8-6-15(7-9-16)23(38)32-18(25(40)41)10-11-19(36)28-12-4-2-1-3-5-20(37)35-42/h6-9,14,18,29,42H,1-5,10-13H2,(H,28,36)(H,32,38)(H,35,37)(H,40,41)(H3,27,30,33,34,39)/t18-/s2
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n/an/a 132n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(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 144n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(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 144n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50080002
PNG
(CHEMBL3415970)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCC(=O)NO)C(O)=O)nc2c(=O)[nH]1 |r|
Show InChI InChI=1/C28H37N9O7/c29-28-35-24-23(26(41)36-28)33-19(16-32-24)15-31-18-10-8-17(9-11-18)25(40)34-20(27(42)43)12-13-21(38)30-14-6-4-2-1-3-5-7-22(39)37-44/h8-11,16,20,31,44H,1-7,12-15H2,(H,30,38)(H,34,40)(H,37,39)(H,42,43)(H3,29,32,35,36,41)/t20-/s2
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n/an/a 179n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50080003
PNG
(CHEMBL3415969)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCC(=O)NO)C(O)=O)nc2c(=O)[nH]1 |r|
Show InChI InChI=1/C27H35N9O7/c28-27-34-23-22(25(40)35-27)32-18(15-31-23)14-30-17-9-7-16(8-10-17)24(39)33-19(26(41)42)11-12-20(37)29-13-5-3-1-2-4-6-21(38)36-43/h7-10,15,19,30,43H,1-6,11-14H2,(H,29,37)(H,33,39)(H,36,38)(H,41,42)(H3,28,31,34,35,40)/t19-/s2
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n/an/a 193n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50080072
PNG
(CHEMBL3415961)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C19H22N8O4/c20-19-25-16-15(18(30)26-19)24-13(10-23-16)9-22-12-6-4-11(5-7-12)17(29)21-8-2-1-3-14(28)27-31/h4-7,10,22,31H,1-3,8-9H2,(H,21,29)(H,27,28)(H3,20,23,25,26,30)
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n/an/a 212n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
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 232n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC8 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 232n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50080001
PNG
(CHEMBL3415973)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCC(=O)Nc3cc(ccc3N)-c3cccs3)C(O)=O)nc2c(=O)[nH]1 |r|
Show InChI InChI=1/C37H42N10O6S/c38-26-14-11-23(29-7-6-18-54-29)19-28(26)44-31(49)8-4-2-1-3-5-17-40-30(48)16-15-27(36(52)53)45-34(50)22-9-12-24(13-10-22)41-20-25-21-42-33-32(43-25)35(51)47-37(39)46-33/h6-7,9-14,18-19,21,27,41H,1-5,8,15-17,20,38H2,(H,40,48)(H,44,49)(H,45,50)(H,52,53)(H3,39,42,46,47,51)/t27-/s2
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n/an/a 287n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430975
PNG
(CHEMBL2337867)
Show SMILES Cc1ccccc1-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-5-2-3-6-17(14)16-10-8-15(9-11-16)13-20-12-4-7-18(21)19(20)22/h2-12,21H,13H2,1H3
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n/an/a 306n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50080074
PNG
(CHEMBL3415974)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCC(=O)Nc3cc(ccc3N)-c3cccs3)C(O)=O)nc2c(=O)[nH]1 |r|
Show InChI InChI=1/C38H44N10O6S/c39-27-15-12-24(30-8-7-19-55-30)20-29(27)45-32(50)9-5-3-1-2-4-6-18-41-31(49)17-16-28(37(53)54)46-35(51)23-10-13-25(14-11-23)42-21-26-22-43-34-33(44-26)36(52)48-38(40)47-34/h7-8,10-15,19-20,22,28,42H,1-6,9,16-18,21,39H2,(H,41,49)(H,45,50)(H,46,51)(H,53,54)(H3,40,43,47,48,52)/t28-/s2
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n/an/a 309n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430978
PNG
(CHEMBL2337870)
Show SMILES Oc1cccn(Cc2ccc(cc2C#N)-c2ccccc2)c1=S
Show InChI InChI=1S/C19H14N2OS/c20-12-17-11-15(14-5-2-1-3-6-14)8-9-16(17)13-21-10-4-7-18(22)19(21)23/h1-11,22H,13H2
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n/an/a 372n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50080075
PNG
(CHEMBL3415972)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCC(=O)Nc3cc(ccc3N)-c3cccs3)C(O)=O)nc2c(=O)[nH]1 |r|
Show InChI InChI=1/C36H40N10O6S/c37-25-13-10-22(28-6-5-17-53-28)18-27(25)43-30(48)7-3-1-2-4-16-39-29(47)15-14-26(35(51)52)44-33(49)21-8-11-23(12-9-21)40-19-24-20-41-32-31(42-24)34(50)46-36(38)45-32/h5-6,8-13,17-18,20,26,40H,1-4,7,14-16,19,37H2,(H,39,47)(H,43,48)(H,44,49)(H,51,52)(H3,38,41,45,46,50)/t26-/s2
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n/an/a 435n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430977
PNG
(CHEMBL2337869)
Show SMILES Cc1ccc(cc1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)13-20-12-2-3-18(21)19(20)22/h2-12,21H,13H2,1H3
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n/an/a 454n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430981
PNG
(CHEMBL2337875)
Show SMILES Oc1cccn(Cc2ccccc2)c1=S
Show InChI InChI=1S/C12H11NOS/c14-11-7-4-8-13(12(11)15)9-10-5-2-1-3-6-10/h1-8,14H,9H2
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n/an/a 457n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50080070
PNG
(CHEMBL3415966)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCCCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C24H32N8O4/c25-24-30-21-20(23(35)31-24)29-18(15-28-21)14-27-17-11-9-16(10-12-17)22(34)26-13-7-5-3-1-2-4-6-8-19(33)32-36/h9-12,15,27,36H,1-8,13-14H2,(H,26,34)(H,32,33)(H3,25,28,30,31,35)
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n/an/a 476n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50080005
PNG
(CHEMBL3415965)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C23H30N8O4/c24-23-29-20-19(22(34)30-23)28-17(14-27-20)13-26-16-10-8-15(9-11-16)21(33)25-12-6-4-2-1-3-5-7-18(32)31-35/h8-11,14,26,35H,1-7,12-13H2,(H,25,33)(H,31,32)(H3,24,27,29,30,34)
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n/an/a 524n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50080008
PNG
(CHEMBL3415959)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C14H13N7O3/c15-14-19-11-10(13(23)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)12(22)21-24/h1-4,6,16,24H,5H2,(H,21,22)(H3,15,17,19,20,23)
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n/an/a 581n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC8 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430971
PNG
(CHEMBL2337874)
Show SMILES Oc1ccc[nH]c1=S
Show InChI InChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
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n/an/a 681n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430977
PNG
(CHEMBL2337869)
Show SMILES Cc1ccc(cc1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)13-20-12-2-3-18(21)19(20)22/h2-12,21H,13H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430976
PNG
(CHEMBL2337868)
Show SMILES Cc1cccc(c1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-4-2-5-17(12-14)16-9-7-15(8-10-16)13-20-11-3-6-18(21)19(20)22/h2-12,21H,13H2,1H3
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n/an/a 812n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430980
PNG
(CHEMBL2337873)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccccc2)c1=S
Show InChI InChI=1S/C18H15NOS/c20-17-7-4-12-19(18(17)21)13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-12,20H,13H2
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n/an/a 847n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 854n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin)


Bioorg Med Chem Lett 24: 4826-30 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.060
BindingDB Entry DOI: 10.7270/Q2HX1F7G
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430979
PNG
(CHEMBL2337872)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccc(cc2)C#N)c1=S
Show InChI InChI=1S/C19H14N2OS/c20-12-14-3-7-16(8-4-14)17-9-5-15(6-10-17)13-21-11-1-2-18(22)19(21)23/h1-11,22H,13H2
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n/an/a 957n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430972
PNG
(CHEMBL2337862)
Show SMILES CN(C)c1ccc(cc1)-n1cc(Cn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C16H17N5OS/c1-19(2)13-5-7-14(8-6-13)21-11-12(17-18-21)10-20-9-3-4-15(22)16(20)23/h3-9,11,22H,10H2,1-2H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50080007
PNG
(CHEMBL3415963)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C21H26N8O4/c22-21-27-18-17(20(32)28-21)26-15(12-25-18)11-24-14-8-6-13(7-9-14)19(31)23-10-4-2-1-3-5-16(30)29-33/h6-9,12,24,33H,1-5,10-11H2,(H,23,31)(H,29,30)(H3,22,25,27,28,32)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC8 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430981
PNG
(CHEMBL2337875)
Show SMILES Oc1cccn(Cc2ccccc2)c1=S
Show InChI InChI=1S/C12H11NOS/c14-11-7-4-8-13(12(11)15)9-10-5-2-1-3-6-10/h1-8,14H,9H2
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n/an/a 1.27E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50080073
PNG
(CHEMBL3415960)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCC(=O)NO)nc2c(=O)[nH]1
Show InChI InChI=1S/C18H20N8O4/c19-18-24-15-14(17(29)25-18)23-12(9-22-15)8-21-11-5-3-10(4-6-11)16(28)20-7-1-2-13(27)26-30/h3-6,9,21,30H,1-2,7-8H2,(H,20,28)(H,26,27)(H3,19,22,24,25,29)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50080002
PNG
(CHEMBL3415970)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCC(=O)NO)C(O)=O)nc2c(=O)[nH]1 |r|
Show InChI InChI=1/C28H37N9O7/c29-28-35-24-23(26(41)36-28)33-19(16-32-24)15-31-18-10-8-17(9-11-18)25(40)34-20(27(42)43)12-13-21(38)30-14-6-4-2-1-3-5-7-22(39)37-44/h8-11,16,20,31,44H,1-7,12-15H2,(H,30,38)(H,34,40)(H,37,39)(H,42,43)(H3,29,32,35,36,41)/t20-/s2
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n/an/a 1.56E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC8 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430982
PNG
(CHEMBL2337863)
Show SMILES Oc1cccn(Cc2cn(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C14H12N4OS/c19-13-7-4-8-17(14(13)20)9-11-10-18(16-15-11)12-5-2-1-3-6-12/h1-8,10,19H,9H2
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n/an/a 1.57E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430984
PNG
(CHEMBL2337871)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2cccc(c2)C#N)c1=S
Show InChI InChI=1S/C19H14N2OS/c20-12-15-3-1-4-17(11-15)16-8-6-14(7-9-16)13-21-10-2-5-18(22)19(21)23/h1-11,22H,13H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50080004
PNG
(CHEMBL3415968)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCC(=O)NO)C(O)=O)nc2c(=O)[nH]1 |r|
Show InChI InChI=1/C26H33N9O7/c27-26-33-22-21(24(39)34-26)31-17(14-30-22)13-29-16-8-6-15(7-9-16)23(38)32-18(25(40)41)10-11-19(36)28-12-4-2-1-3-5-20(37)35-42/h6-9,14,18,29,42H,1-5,10-13H2,(H,28,36)(H,32,38)(H,35,37)(H,40,41)(H3,27,30,33,34,39)/t18-/s2
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n/an/a 1.77E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50080003
PNG
(CHEMBL3415969)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCC(=O)NO)C(O)=O)nc2c(=O)[nH]1 |r|
Show InChI InChI=1/C27H35N9O7/c28-27-34-23-22(25(40)35-27)32-18(15-31-23)14-30-17-9-7-16(8-10-17)24(39)33-19(26(41)42)11-12-20(37)29-13-5-3-1-2-4-6-21(38)36-43/h7-10,15,19,30,43H,1-6,11-14H2,(H,29,37)(H,33,39)(H,36,38)(H,41,42)(H3,28,31,34,35,40)/t19-/s2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry


Eur J Med Chem 96: 340-59 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.014
BindingDB Entry DOI: 10.7270/Q269759B
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430972
PNG
(CHEMBL2337862)
Show SMILES CN(C)c1ccc(cc1)-n1cc(Cn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C16H17N5OS/c1-19(2)13-5-7-14(8-6-13)21-11-12(17-18-21)10-20-9-3-4-15(22)16(20)23/h3-9,11,22H,10H2,1-2H3
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n/an/a 1.87E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430978
PNG
(CHEMBL2337870)
Show SMILES Oc1cccn(Cc2ccc(cc2C#N)-c2ccccc2)c1=S
Show InChI InChI=1S/C19H14N2OS/c20-12-17-11-15(14-5-2-1-3-6-14)8-9-16(17)13-21-10-4-7-18(22)19(21)23/h1-11,22H,13H2
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n/an/a 1.91E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430979
PNG
(CHEMBL2337872)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccc(cc2)C#N)c1=S
Show InChI InChI=1S/C19H14N2OS/c20-12-14-3-7-16(8-4-14)17-9-5-15(6-10-17)13-21-11-1-2-18(22)19(21)23/h1-11,22H,13H2
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n/an/a 2.08E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430973
PNG
(CHEMBL2337864)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccncc2)c1=S
Show InChI InChI=1S/C17H14N2OS/c20-16-2-1-11-19(17(16)21)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h1-11,20H,12H2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(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 2.31E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human LNCAP cells assessed as tubulin acetylation by Western blot analysis


Bioorg Med Chem Lett 24: 4826-30 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.060
BindingDB Entry DOI: 10.7270/Q2HX1F7G
More data for this
Ligand-Target Pair
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