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Compile Data Set for Download or QSAR

Found 112 hits Enz. Inhib. hit(s) with all data for entry = 50014659   
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))
BDBM50578549
PNG
(CHEMBL4876454)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(NC(=O)CCCCCCC(=O)NO)no1
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n/an/a 0.00200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50578549
PNG
(CHEMBL4876454)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(NC(=O)CCCCCCC(=O)NO)no1
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n/an/a 0.420n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578544
PNG
(CHEMBL4866683)
Show SMILES ONC(=O)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3cccnc3)C2=O)cc1
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(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 |r|
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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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a 4.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578543
PNG
(CHEMBL4858289)
Show SMILES ONC(=O)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3ccccn3)C2=O)cc1
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n/an/a 4.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578536
PNG
(CHEMBL4851023)
Show SMILES ONC(=O)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3ccc(Cl)cc3)C2=O)cc1
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578517
PNG
(CHEMBL4854752)
Show SMILES ONC(=O)c1ccc(CN2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)cc1
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n/an/a 8.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578522
PNG
(CHEMBL4849102)
Show SMILES Cc1ccc2ccccc2c1N1CC(=O)N(Cc2ccc(cc2)C(=O)NO)C1=O
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578516
PNG
(CHEMBL4863833)
Show SMILES ONC(=O)c1ccc(CN2C(=O)CN(Cc3ccccc3)C2=O)cc1
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578545
PNG
(CHEMBL4878288)
Show SMILES ONC(=O)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3ccncc3)C2=O)cc1
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
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


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578518
PNG
(CHEMBL4859429)
Show SMILES Cc1ccc(CN2CC(=O)N(Cc3ccc(cc3)C(=O)NO)C2=O)cc1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578540
PNG
(CHEMBL4871920)
Show SMILES ONC(=O)c1ccc(CN2C(=O)C(Cc3ccccc3)N(CCc3ccccc3)C2=O)cc1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578535
PNG
(CHEMBL4854541)
Show SMILES ONC(=O)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578521
PNG
(CHEMBL4858911)
Show SMILES ONC(=O)c1ccc(CN2C(=O)CN(CCc3ccccc3)C2=O)cc1
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578530
PNG
(CHEMBL4845845)
Show SMILES ONC(=O)c1ccc(CN2C(=O)NC(CCc3ccccc3)(C2=O)c2ccccc2)cc1
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578542
PNG
(CHEMBL4854096)
Show SMILES ONC(=O)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3ccc4ccccc4c3)C2=O)cc1
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
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 27n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
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 27n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578519
PNG
(CHEMBL4872084)
Show SMILES COc1ccc(CN2CC(=O)N(Cc3ccc(cc3)C(=O)NO)C2=O)cc1
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578541
PNG
(CHEMBL4846062)
Show SMILES ONC(=O)c1ccc(CN2C(=O)C(Cc3ccccc3)N(Cc3cccc4ccccc34)C2=O)cc1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578537
PNG
(CHEMBL4850829)
Show SMILES Cc1ccc(CN2C(Cc3ccccc3)C(=O)N(Cc3ccc(cc3)C(=O)NO)C2=O)cc1
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n/an/a 38n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578520
PNG
(CHEMBL4853389)
Show SMILES CC(C)(C)c1ccc(CN2CC(=O)N(Cc3ccc(cc3)C(=O)NO)C2=O)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
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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TBA

Assay Description
Inhibition of HDAC1 (unknown origin) using Ac-LeuGlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further incu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a 51n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578524
PNG
(CHEMBL4859396)
Show SMILES CCCC1(NC(=O)N(Cc2ccc(cc2)C(=O)NO)C1=O)c1ccccc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578515
PNG
(CHEMBL4854023)
Show SMILES CCCN1CC(=O)N(Cc2ccc(cc2)C(=O)NO)C1=O
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578526
PNG
(CHEMBL4849507)
Show SMILES ONC(=O)c1ccc(CN2C(=O)NC(Cc3ccc(Cl)cc3)(C2=O)c2ccccc2)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM198121
PNG
(HPOB)
Show SMILES OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)
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n/an/a 56n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578534
PNG
(CHEMBL4851633)
Show SMILES CCCN1C(Cc2ccccc2)C(=O)N(Cc2ccc(cc2)C(=O)NO)C1=O
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a 58n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578528
PNG
(CHEMBL4863335)
Show SMILES COc1ccc(CC2(NC(=O)N(Cc3ccc(cc3)C(=O)NO)C2=O)c2ccccc2)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578525
PNG
(CHEMBL4860720)
Show SMILES ONC(=O)c1ccc(CN2C(=O)NC(Cc3ccccc3)(C2=O)c2ccccc2)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578532
PNG
(CHEMBL4871002)
Show SMILES ONC(=O)c1ccc(CN2C(=O)NC(Cc3ccc4ccccc4c3)(C2=O)c2ccccc2)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578523
PNG
(CHEMBL4868079)
Show SMILES CC1(NC(=O)N(Cc2ccc(cc2)C(=O)NO)C1=O)c1ccccc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578527
PNG
(CHEMBL4878639)
Show SMILES Cc1ccc(CC2(NC(=O)N(Cc3ccc(cc3)C(=O)NO)C2=O)c2ccccc2)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578531
PNG
(CHEMBL4865529)
Show SMILES ONC(=O)c1ccc(CN2C(=O)NC(Cc3cccc4ccccc34)(C2=O)c2ccccc2)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC8 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578538
PNG
(CHEMBL4862983)
Show SMILES COc1ccc(CN2C(Cc3ccccc3)C(=O)N(Cc3ccc(cc3)C(=O)NO)C2=O)cc1
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578533
PNG
(CHEMBL4873563)
Show SMILES CN1C(Cc2ccccc2)C(=O)N(Cc2ccc(cc2)C(=O)NO)C1=O
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 113n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC2 (unknown origin) using Ac-LeuGlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further incu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578529
PNG
(CHEMBL4855750)
Show SMILES CC(C)(C)c1ccc(CC2(NC(=O)N(Cc3ccc(cc3)C(=O)NO)C2=O)c2ccccc2)cc1
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n/an/a 115n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578514
PNG
(CHEMBL4864178)
Show SMILES CN1CC(=O)N(Cc2ccc(cc2)C(=O)NO)C1=O
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578548
PNG
(CHEMBL4875843)
Show SMILES CC(C)CC1N(Cc2ccccc2)C(=O)N(Cc2ccc(cc2)C(=O)NO)C1=O
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TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578539
PNG
(CHEMBL4868120)
Show SMILES CC(C)(C)c1ccc(CN2C(Cc3ccccc3)C(=O)N(Cc3ccc(cc3)C(=O)NO)C2=O)cc1
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n/an/a 139n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578547
PNG
(CHEMBL4856388)
Show SMILES CCCN1C(CC(C)C)C(=O)N(Cc2ccc(cc2)C(=O)NO)C1=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 174n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50578546
PNG
(CHEMBL4868785)
Show SMILES CC(C)CC1N(C)C(=O)N(Cc2ccc(cc2)C(=O)NO)C1=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113526
BindingDB Entry DOI: 10.7270/Q2D79G8J
More data for this
Ligand-Target Pair
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