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Compile Data Set for Download or QSAR

Found 652 hits with Last Name = 'hansen' and Initial = 'fk'   
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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM207629
PNG
(US9265734, R01 | US9796664, Compound R01)
Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N
Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)
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5n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 (unknown origin)/NCOR2 (unknown origin) using acetyl-Lys(Ac)-AMC as substrate preincubated for up to 3 hrs followed b...


J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM207629
PNG
(US9265734, R01 | US9796664, Compound R01)
Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N
Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)
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32n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using acetyl-Lys(Ac)-AMC as substrate preincubated for up to 3 hrs followed by substrate addition an...


J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 1.5n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50424998
PNG
(CHEMBL2312164)
Show SMILES Cc1cccc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C14H20N2O4/c1-11-6-5-7-12(10-11)14(18)16-20-9-4-2-3-8-13(17)15-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)
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n/an/a 2.30n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50239858
PNG
(CHEMBL4067006)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nc(OC)cc(C)c2c1
Show InChI InChI=1S/C19H26N4O6/c1-12-9-17(28-3)21-18-14(12)10-13(27-2)11-15(18)20-19(25)23-29-8-6-4-5-7-16(24)22-26/h9-11,26H,4-8H2,1-3H3,(H,22,24)(H2,20,23,25)
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n/an/a 2.80n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells Z-(Ac)Lys-AMC as substrate measur...


J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50369342
PNG
(CHEMBL4162282)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc1ccc(C)cc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)
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n/an/a 3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay


J Med Chem 61: 8054-8060 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01013
BindingDB Entry DOI: 10.7270/Q2KP84QW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Bos taurus)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 4.10n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...


Bioorg Med Chem Lett 22: 5031-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.012
BindingDB Entry DOI: 10.7270/Q27P90GC
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50424996
PNG
(CHEMBL2312168)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 4.20n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human SEM cells using Suc-LLVY aminoluciferin as substrate after 2 hrs by proteasome-Gl...


J Med Chem 61: 10299-10309 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01487
BindingDB Entry DOI: 10.7270/Q26W9DMW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50602361
PNG
(CHEMBL5206304)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(NC(=O)CCCCCCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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n/an/a 4.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01659
BindingDB Entry DOI: 10.7270/Q2862MJJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50369344
PNG
(CHEMBL4170198)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H28N4O4/c1-29(2)23-14-12-22(13-15-23)26(33)30(17-20-8-10-21(11-9-20)25(32)28-34)18-24(31)27-16-19-6-4-3-5-7-19/h3-15,34H,16-18H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50239857
PNG
(CHEMBL4070745)
Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1
Show InChI InChI=1S/C17H22N4O5/c1-25-13-10-12-6-5-8-18-16(12)14(11-13)19-17(23)21-26-9-4-2-3-7-15(22)20-24/h5-6,8,10-11,24H,2-4,7,9H2,1H3,(H,20,22)(H2,19,21,23)
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n/an/a 6.10n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells Z-(Ac)Lys-AMC as substrate measur...


J Med Chem 60: 5334-5348 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01538
BindingDB Entry DOI: 10.7270/Q2R49SWD
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50239824
PNG
(CHEMBL4069631)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C24H32N4O4/c1-27(2)21-14-12-20(13-15-21)24(31)28(16-8-4-7-11-22(29)26-32)18-23(30)25-17-19-9-5-3-6-10-19/h3,5-6,9-10,12-15,32H,4,7-8,11,16-18H2,1-2H3,(H,25,30)(H,26,29)
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n/an/a 6.5n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards nicotinic acetylcholine receptor


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of 20S proteasome in human HL60 cells using Suc-LLVY aminoluciferin as substrate after 2 hrs by proteasome-G...


J Med Chem 61: 10299-10309 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01487
BindingDB Entry DOI: 10.7270/Q26W9DMW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50369344
PNG
(CHEMBL4170198)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H28N4O4/c1-29(2)23-14-12-22(13-15-23)26(33)30(17-20-8-10-21(11-9-20)25(32)28-34)18-24(31)27-16-19-6-4-3-5-7-19/h3-15,34H,16-18H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a 8n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay


J Med Chem 61: 8054-8060 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01013
BindingDB Entry DOI: 10.7270/Q2KP84QW
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 8.5n/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected insect cells using RHKK(Ac)AMC as substrate by fluoresc...


J Med Chem 61: 10299-10309 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01487
BindingDB Entry DOI: 10.7270/Q26W9DMW
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 9.40n/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG-His-tagged full length recombinant human HDAC1 expressed in Sf21 insect cells using RHKK(Ac)AMC as substrate by fluores...


J Med Chem 61: 10299-10309 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01487
BindingDB Entry DOI: 10.7270/Q26W9DMW
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(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 9.70n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...


J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
BindingDB Entry DOI: 10.7270/Q2JW8J5F
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50588683
PNG
(CHEMBL5187433)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1F)C(=O)NO
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50588683
PNG
(CHEMBL5187433)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1F)C(=O)NO
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50567389
PNG
(CHEMBL4854577)
Show SMILES ONC(=O)c1ccc(CN(CC(=O)NCc2ccccc2)C(=O)c2cccc3ccccc23)cc1
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TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human recombinant HDAC6 expressed in baculovirus infected Sf9 cells using ZMAL (Z-Lys(Ac)-AMC) fluoro...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113065
BindingDB Entry DOI: 10.7270/Q2HD80F8
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50369344
PNG
(CHEMBL4170198)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H28N4O4/c1-29(2)23-14-12-22(13-15-23)26(33)30(17-20-8-10-21(11-9-20)25(32)28-34)18-24(31)27-16-19-6-4-3-5-7-19/h3-15,34H,16-18H2,1-2H3,(H,27,31)(H,28,32)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50571361
PNG
(CHEMBL4876405)
Show SMILES ONC(=O)CCCCCONC(=O)c1ccc2ccccc2c1
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TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using Boc-Lys(Ac)-AMC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113095
BindingDB Entry DOI: 10.7270/Q22Z1991
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50369343
PNG
(CHEMBL4173361)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C25H31N3O4/c1-17-12-18(2)14-21(13-17)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-8-10-20(11-9-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30)
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University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay


J Med Chem 61: 8054-8060 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01013
BindingDB Entry DOI: 10.7270/Q2KP84QW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 11n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50602356
PNG
(CHEMBL5198411)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(NC(=O)COCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01659
BindingDB Entry DOI: 10.7270/Q2862MJJ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50424996
PNG
(CHEMBL2312168)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50588683
PNG
(CHEMBL5187433)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1F)C(=O)NO
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50588682
PNG
(CHEMBL5189808)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1F)C(=O)NO
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50571348
PNG
(CHEMBL4850081)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc2ccccc2[nH]1
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TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using Boc-Lys(Ac)-AMC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113095
BindingDB Entry DOI: 10.7270/Q22Z1991
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(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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Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal His-tagged HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilo...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(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 13n/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/NCOR2 expressed in baculovirus infected insect cells using RHKK(Ac)AMC as substrate by fluorescence-based assay


J Med Chem 61: 10299-10309 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01487
BindingDB Entry DOI: 10.7270/Q26W9DMW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50105329
PNG
(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
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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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50588683
PNG
(CHEMBL5187433)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1F)C(=O)NO
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
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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TBA

Assay Description
Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01888
BindingDB Entry DOI: 10.7270/Q2T157C4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50369344
PNG
(CHEMBL4170198)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H28N4O4/c1-29(2)23-14-12-22(13-15-23)26(33)30(17-20-8-10-21(11-9-20)25(32)28-34)18-24(31)27-16-19-6-4-3-5-7-19/h3-15,34H,16-18H2,1-2H3,(H,27,31)(H,28,32)
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University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay


J Med Chem 61: 8054-8060 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01013
BindingDB Entry DOI: 10.7270/Q2KP84QW
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50602360
PNG
(CHEMBL5194900)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(NC(=O)CCOCCOCCOCCOCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01659
BindingDB Entry DOI: 10.7270/Q2862MJJ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50588677
PNG
(CHEMBL5199849)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1F)C(=O)NO
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50239822
PNG
(CHEMBL4080343)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C24H32N4O4/c1-18-8-12-20(13-9-18)25-23(30)17-28(16-6-4-5-7-22(29)26-32)24(31)19-10-14-21(15-11-19)27(2)3/h8-15,32H,4-7,16-17H2,1-3H3,(H,25,30)(H,26,29)
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Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal His-tagged HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilo...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50424998
PNG
(CHEMBL2312164)
Show SMILES Cc1cccc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C14H20N2O4/c1-11-6-5-7-12(10-11)14(18)16-20-9-4-2-3-8-13(17)15-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)
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Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50602358
PNG
(CHEMBL5173745)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(NC(=O)CCOCCOCCOCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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n/an/a 17n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01659
BindingDB Entry DOI: 10.7270/Q2862MJJ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50588688
PNG
(CHEMBL5201168)
Show SMILES COc1ccccc1C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1F)C(=O)NO
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50588678
PNG
(CHEMBL5184839)
Show SMILES ONC(=O)c1ccc(CN(CC(=O)NC2CCCCC2)C(=O)c2ccccc2F)c(F)c1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50588679
PNG
(CHEMBL5190554)
Show SMILES Cc1ccccc1C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1F)C(=O)NO
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50571360
PNG
(CHEMBL4875953)
Show SMILES ONC(=O)CCCCCONC(=O)c1cnc2ccccc2n1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using Boc-Lys(Ac)-AMC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113095
BindingDB Entry DOI: 10.7270/Q22Z1991
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50424997
PNG
(CHEMBL2312167)
Show SMILES Cc1ccc(cc1C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-7-8-13(10-12(11)2)15(19)17-21-9-5-3-4-6-14(18)16-20/h7-8,10,20H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)
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Article
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n/an/a 18n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by fluorescence assay


J Med Chem 56: 427-36 (2013)


Article DOI: 10.1021/jm301254q
BindingDB Entry DOI: 10.7270/Q2D79CRK
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50588676
PNG
(CHEMBL5180418)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1F)C(=O)NO
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50588680
PNG
(CHEMBL5183285)
Show SMILES COc1ccccc1C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1F)C(=O)NO
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50588685
PNG
(CHEMBL5209024)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1F)C(=O)NO
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n/an/a 20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01418
BindingDB Entry DOI: 10.7270/Q22N5679
More data for this
Ligand-Target Pair
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