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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'sodji' and Initial = 'qh'   
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 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 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 HDAC1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mass spectrometric a...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
3D
3D Structure (crystal)
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
3D
3D Structure (crystal)
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|
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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))
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) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
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|
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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|
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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 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 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
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|
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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|
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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))
BDBM41563
PNG
(US8871728, 167e)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2cccc(c2)C#N)c1=S
Show InChI InChI=1S/C17H24F3N3O2/c1-12-9-15(21-25-12)16(24)23-6-2-3-13(11-23)10-22-7-4-14(5-8-22)17(18,19)20/h9,13-14H,2-8,10-11H2,1H3
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n/an/a 356n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
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|
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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))
BDBM41561
PNG
(US8871728, 167c)
Show SMILES Cc1ccccc1-c1cn(CCCCCn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C20H25N3O2/c1-15-11-19(21-25-15)20(24)23-9-4-5-16(13-23)12-22-10-8-17-6-2-3-7-18(17)14-22/h2-3,6-7,11,16H,4-5,8-10,12-14H2,1H3
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n/an/a 637n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41565
PNG
(US8871728, 167g)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(C#N)c(c2)C(F)(F)F)c1=S
Show InChI InChI=1S/C20H18F3N5OS/c21-20(22,23)16-11-14(6-7-15(16)12-24)17-13-28(26-25-17)10-3-1-2-8-27-9-4-5-18(29)19(27)30/h4-7,9,11,13,29H,1-3,8,10H2
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n/an/a 661n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
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))
BDBM41559
PNG
(US8871728, 167a)
Show SMILES Cc1ccc(cc1)-c1cn(CCCCCn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C17H29N3O3/c1-13(2)19(8-9-22-4)11-15-6-5-7-20(12-15)17(21)16-10-14(3)23-18-16/h10,13,15H,5-9,11-12H2,1-4H3
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n/an/a 807n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
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 6


(Homo sapiens (Human))
BDBM41562
PNG
(US8871728, 167d)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(cc2)C#N)c1=S
Show InChI InChI=1S/C19H26N6O2/c1-15-11-17(22-27-15)19(26)25-6-2-3-16(14-25)13-23-7-9-24(10-8-23)18-12-20-4-5-21-18/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3
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n/an/a 905n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41547
PNG
(US8871728, 162d)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C24H21FN4O2/c25-19-9-6-16(7-10-19)14-29-15-20(13-26-29)27-24(30)23-21-12-18(8-11-22(21)31-28-23)17-4-2-1-3-5-17/h1-7,9-10,13,15,18H,8,11-12,14H2,(H,27,30)
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n/an/a 911n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41547
PNG
(US8871728, 162d)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C24H21FN4O2/c25-19-9-6-16(7-10-19)14-29-15-20(13-26-29)27-24(30)23-21-12-18(8-11-22(21)31-28-23)17-4-2-1-3-5-17/h1-7,9-10,13,15,18H,8,11-12,14H2,(H,27,30)
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n/an/a 917n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41558
PNG
(US8871728, 162f)
Show SMILES Oc1cccn(CCCCCCCn2cc(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C22H20ClFN4O2/c1-22(2,3)14-7-8-18-16(10-14)19(27-30-18)21(29)26-17-11-25-28(20(17)23)12-13-5-4-6-15(24)9-13/h4-11H,12H2,1-3H3,(H,26,29)
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n/an/a 955n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
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))
BDBM41564
PNG
(US8871728, 167f)
Show SMILES CN(C)c1ccc(cc1)-c1cn(CCCCCn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C20H25N5OS/c1-23(2)17-10-8-16(9-11-17)18-15-25(22-21-18)14-5-3-4-12-24-13-6-7-19(26)20(24)27/h6-11,13,15,26H,3-5,12,14H2,1-2H3
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n/an/a 1.01E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
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 6


(Homo sapiens (Human))
BDBM41545
PNG
(US8871728, 162c)
Show SMILES Oc1cccn(CCCCn2cc(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C19H18Cl2N4O2/c20-13-7-6-12(16(21)8-13)10-25-11-14(9-22-25)23-19(26)18-15-4-2-1-3-5-17(15)27-24-18/h6-9,11H,1-5,10H2,(H,23,26)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41560
PNG
(US8871728, 167b)
Show SMILES Cc1cccc(c1)-c1cn(CCCCCn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C18H29N3O2/c1-3-8-20(11-15-6-7-15)12-16-5-4-9-21(13-16)18(22)17-10-14(2)23-19-17/h10,15-16H,3-9,11-13H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...


J Med Chem 56: 9969-81 (2013)


Article DOI: 10.1021/jm401225q
BindingDB Entry DOI: 10.7270/Q2W95D4F
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
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