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Compile Data Set for Download or QSAR

Found 470 hits with Last Name = 'tavares' and Initial = 'mt'   
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))
BDBM50247556
PNG
(CHEMBL4104117)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 0.290n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50571526
PNG
(CHEMBL4863515)
Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(ccc23)-c2cc[nH]n2)cc1
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50274998
PNG
(CHEMBL4126811)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C23H24N4O6/c1-23(2,3)32-22(30)25-17-10-8-15(9-11-17)19-12-18(27-33-19)21(29)24-13-14-4-6-16(7-5-14)20(28)26-31/h4-12,31H,13H2,1-3H3,(H,24,29)(H,25,30)(H,26,28)
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n/an/a 0.330n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50279258
PNG
(CHEMBL4177129)
Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM417049
PNG
(4-((6-chloro-3,4-dihydroquinolin-1(2H)-yl)methyl)-...)
Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C17H17ClN2O2/c18-15-7-8-16-14(10-15)2-1-9-20(16)11-12-3-5-13(6-4-12)17(21)19-22/h3-8,10,22H,1-2,9,11H2,(H,19,21)
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50571528
PNG
(CHEMBL4846435)
Show SMILES NC(=O)c1ccc2N(Cc3ccc(cc3)C(=O)NO)CCCc2c1
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50571517
PNG
(CHEMBL4846714)
Show SMILES ONC(=O)c1ccc(CN2c3ccc(Cl)cc3CCCC2=O)cc1
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50252391
PNG
(CHEMBL4080014)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1F)C(=O)NO
Show InChI InChI=1S/C16H14FN3O2/c1-10-18-14-4-2-3-5-15(14)20(10)9-12-7-6-11(8-13(12)17)16(21)19-22/h2-8,22H,9H2,1H3,(H,19,21)
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n/an/a 0.810n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using RHK-K(Ac)-A...


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50279258
PNG
(CHEMBL4177129)
Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)
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n/an/a 0.870n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Protease after after resynthesis and purification


ACS Med Chem Lett 8: 1031-1036 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00223
BindingDB Entry DOI: 10.7270/Q2280B3G
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50571523
PNG
(CHEMBL4857825)
Show SMILES ONC(=O)c1ccc(CN2C(=O)CCc3cc(Br)ccc23)cc1
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50567701
PNG
(CHEMBL4856735)
Show SMILES ONC(=O)c1ccc(CN2CCCCc3cc(Cl)ccc23)cc1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50571527
PNG
(CHEMBL4874875)
Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(ccc23)C#N)cc1
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in baculovirus infected Sf9 insect cells using...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116085
BindingDB Entry DOI: 10.7270/Q24M987X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
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 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM337665
PNG
(US10227295, Compound JB7-19 | US9751832, Compound ...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C20H23N5O3/c1-2-3-10-25(13-14-4-6-15(7-5-14)19(26)24-28)20(27)22-17-9-8-16-12-21-23-18(16)11-17/h4-9,11-12,28H,2-3,10,13H2,1H3,(H,21,23)(H,22,27)(H,24,26)
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n/an/a 1.60n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...


ACS Med Chem Lett 8: 1031-1036 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00223
BindingDB Entry DOI: 10.7270/Q2280B3G
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 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM337666
PNG
(US10227295, Compound JB7-20 | US9751832, Compound ...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1cccc(c1)N(C)C
Show InChI InChI=1S/C21H28N4O3/c1-4-5-13-25(15-16-9-11-17(12-10-16)20(26)23-28)21(27)22-18-7-6-8-19(14-18)24(2)3/h6-12,14,28H,4-5,13,15H2,1-3H3,(H,22,27)(H,23,26)
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n/an/a 1.70n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...


ACS Med Chem Lett 8: 1031-1036 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00223
BindingDB Entry DOI: 10.7270/Q2280B3G
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50513915
PNG
(CHEMBL4447715)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C15H12Cl2N2O3/c16-12-6-5-11(7-13(12)17)14(20)18-8-9-1-3-10(4-2-9)15(21)19-22/h1-7,22H,8H2,(H,18,20)(H,19,21)
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n/an/a 2n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate ...


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 3


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of human dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
In vitro antagonistic activity against kinin-induced rabbit jugular vein contraction.


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM417049
PNG
(4-((6-chloro-3,4-dihydroquinolin-1(2H)-yl)methyl)-...)
Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C17H17ClN2O2/c18-15-7-8-16-14(10-15)2-1-9-20(16)11-12-3-5-13(6-4-12)17(21)19-22/h3-8,10,22H,1-2,9,11H2,(H,19,21)
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n/an/a 2.30n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50571521
PNG
(CHEMBL4847663)
Show SMILES NC(=O)c1ccc2N(Cc3ccc(cc3)C(=O)NO)CCCCc2c1
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM110036
PNG
(US8609678, 2-((2-chlorophenyl)(phenyl)amino)-N-(7-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)
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n/an/a 2.60n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells assessed as decrease in re...


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM110036
PNG
(US8609678, 2-((2-chlorophenyl)(phenyl)amino)-N-(7-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Geranylgeranyl transferase type I from porcine brain tissue


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50571524
PNG
(CHEMBL4847122)
Show SMILES ONC(=O)c1ccc(CN2C(=O)CCc3cc(ccc23)C2CC2)cc1
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n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
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 2.80n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...


ACS Med Chem Lett 8: 1031-1036 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00223
BindingDB Entry DOI: 10.7270/Q2280B3G
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50571522
PNG
(CHEMBL4859648)
Show SMILES ONC(=O)c1ccc(CN2C(=O)CCc3cc(Cl)ccc23)cc1
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM417049
PNG
(4-((6-chloro-3,4-dihydroquinolin-1(2H)-yl)methyl)-...)
Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C17H17ClN2O2/c18-15-7-8-16-14(10-15)2-1-9-20(16)11-12-3-5-13(6-4-12)17(21)19-22/h3-8,10,22H,1-2,9,11H2,(H,19,21)
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM249366
PNG
(US9464073, 003 | US9884850, Compound 3)
Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1
Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
In vitro antagonistic activity against kinin-induced rabbit jugular vein contraction.


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of human dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 3.20n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 to 482 residues) expressed in baculovirus infected sf9 insect cells u...


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM417070
PNG
(US10456394, Example 7)
Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(F)c(Cl)cc23)cc1
Show InChI InChI=1S/C17H16ClFN2O2/c18-14-9-16-13(8-15(14)19)2-1-7-21(16)10-11-3-5-12(6-4-11)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22)
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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM417068
PNG
(US10456394, Example 6)
Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(Cl)c(Cl)cc23)cc1
Show InChI InChI=1S/C17H16Cl2N2O2/c18-14-8-13-2-1-7-21(16(13)9-15(14)19)10-11-3-5-12(6-4-11)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22)
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in baculovirus infected Sf9 insect cells u...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116085
BindingDB Entry DOI: 10.7270/Q24M987X
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 4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate ...


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
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 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


Citation and Details
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 4.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50571520
PNG
(CHEMBL4856920)
Show SMILES ONC(=O)c1ccc(CN2CCCCc3cc(ccc23)C#N)cc1
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n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
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



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells assessed as decrease in re...


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
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
Partial affinity towards Alpha-1 adrenergic receptor was assessed on rat aortic strips


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM417072
PNG
(US10456394, Example 8)
Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(Cl)c(F)cc23)cc1
Show InChI InChI=1S/C17H16ClFN2O2/c18-14-8-13-2-1-7-21(16(13)9-15(14)19)10-11-3-5-12(6-4-11)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22)
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n/an/a 4.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50567692
PNG
(CHEMBL4847454)
Show SMILES ONC(=O)c1ccc(CN2CCCCc3ccccc23)cc1
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
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



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to...


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50513919
PNG
(CHEMBL4457162)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3cccnc23)cc1
Show InChI InChI=1S/C19H15N3O2S/c23-19(21-24)14-9-7-13(8-10-14)12-22-15-4-1-2-5-16(15)25-17-6-3-11-20-18(17)22/h1-11,24H,12H2,(H,21,23)
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n/an/a 5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


J Med Chem 62: 8557-8577 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00946
BindingDB Entry DOI: 10.7270/Q2542RXH
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50571516
PNG
(CHEMBL4852043)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N1CCCc2cc(F)ccc12
PDB
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n/an/a 5.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
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