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Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'woan' and Initial = 'k'   
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))
BDBM337661
PNG
(US10227295, Compound TSA | US9751832, TSA)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccccc1
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n/an/a 1.20n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
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 1.20n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
BindingDB Entry DOI: 10.7270/Q2WQ04XP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM337661
PNG
(US10227295, Compound TSA | US9751832, TSA)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccccc1
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n/an/a 1.20n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM239060
PNG
(US10227295, Compound 9b | US9409858, 9b | US975183...)
Show SMILES Cc1ccnc(NC(=O)NCc2ccc(cc2)C(=O)NO)c1
Show InChI InChI=1S/C15H16N4O3/c1-10-6-7-16-13(8-10)18-15(21)17-9-11-2-4-12(5-3-11)14(20)19-22/h2-8,22H,9H2,1H3,(H,19,20)(H2,16,17,18,21)
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n/an/a 2.20n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM239060
PNG
(US10227295, Compound 9b | US9409858, 9b | US975183...)
Show SMILES Cc1ccnc(NC(=O)NCc2ccc(cc2)C(=O)NO)c1
Show InChI InChI=1S/C15H16N4O3/c1-10-6-7-16-13(8-10)18-15(21)17-9-11-2-4-12(5-3-11)14(20)19-22/h2-8,22H,9H2,1H3,(H,19,20)(H2,16,17,18,21)
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n/an/a 2.20n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM239060
PNG
(US10227295, Compound 9b | US9409858, 9b | US975183...)
Show SMILES Cc1ccnc(NC(=O)NCc2ccc(cc2)C(=O)NO)c1
Show InChI InChI=1S/C15H16N4O3/c1-10-6-7-16-13(8-10)18-15(21)17-9-11-2-4-12(5-3-11)14(20)19-22/h2-8,22H,9H2,1H3,(H,19,20)(H2,16,17,18,21)
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n/an/a 2.20n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398725
PNG
(CHEMBL2179249 | US10227295, Compound 5b | US940985...)
Show SMILES COc1ccccc1NC(=O)N(CCCO)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C19H23N3O5/c1-27-17-6-3-2-5-16(17)20-19(25)22(11-4-12-23)13-14-7-9-15(10-8-14)18(24)21-26/h2-3,5-10,23,26H,4,11-13H2,1H3,(H,20,25)(H,21,24)
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n/an/a 2.38n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
BindingDB Entry DOI: 10.7270/Q2WQ04XP
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50398725
PNG
(CHEMBL2179249 | US10227295, Compound 5b | US940985...)
Show SMILES COc1ccccc1NC(=O)N(CCCO)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C19H23N3O5/c1-27-17-6-3-2-5-16(17)20-19(25)22(11-4-12-23)13-14-7-9-15(10-8-14)18(24)21-26/h2-3,5-10,23,26H,4,11-13H2,1H3,(H,20,25)(H,21,24)
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n/an/a 2.38n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398725
PNG
(CHEMBL2179249 | US10227295, Compound 5b | US940985...)
Show SMILES COc1ccccc1NC(=O)N(CCCO)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C19H23N3O5/c1-27-17-6-3-2-5-16(17)20-19(25)22(11-4-12-23)13-14-7-9-15(10-8-14)18(24)21-26/h2-3,5-10,23,26H,4,11-13H2,1H3,(H,20,25)(H,21,24)
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n/an/a 2.38n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398725
PNG
(CHEMBL2179249 | US10227295, Compound 5b | US940985...)
Show SMILES COc1ccccc1NC(=O)N(CCCO)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C19H23N3O5/c1-27-17-6-3-2-5-16(17)20-19(25)22(11-4-12-23)13-14-7-9-15(10-8-14)18(24)21-26/h2-3,5-10,23,26H,4,11-13H2,1H3,(H,20,25)(H,21,24)
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n/an/a 2.38n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
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
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n/an/a 2.54n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM337665
PNG
(US10227295, Compound JB7-19 | US9751832, Compound ...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc2cn[nH]c2c1
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n/an/a 2.54n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM337661
PNG
(US10227295, Compound TSA | US9751832, TSA)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccccc1
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n/an/a 5n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM337661
PNG
(US10227295, Compound TSA | US9751832, TSA)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccccc1
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n/an/a 5n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
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 5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
BindingDB Entry DOI: 10.7270/Q2WQ04XP
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 5.02n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
BindingDB Entry DOI: 10.7270/Q2WQ04XP
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 5.02n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
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 5.02n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(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 5.02n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398723
PNG
(CHEMBL2179615 | US10227295, Compound 5d | US940985...)
Show SMILES COc1ccccc1NC(=O)N(CCc1ccc(O)cc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C24H25N3O5/c1-32-22-5-3-2-4-21(22)25-24(30)27(15-14-17-8-12-20(28)13-9-17)16-18-6-10-19(11-7-18)23(29)26-31/h2-13,28,31H,14-16H2,1H3,(H,25,30)(H,26,29)
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n/an/a 5.80n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398723
PNG
(CHEMBL2179615 | US10227295, Compound 5d | US940985...)
Show SMILES COc1ccccc1NC(=O)N(CCc1ccc(O)cc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C24H25N3O5/c1-32-22-5-3-2-4-21(22)25-24(30)27(15-14-17-8-12-20(28)13-9-17)16-18-6-10-19(11-7-18)23(29)26-31/h2-13,28,31H,14-16H2,1H3,(H,25,30)(H,26,29)
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n/an/a 5.80n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
BindingDB Entry DOI: 10.7270/Q2WQ04XP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398723
PNG
(CHEMBL2179615 | US10227295, Compound 5d | US940985...)
Show SMILES COc1ccccc1NC(=O)N(CCc1ccc(O)cc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C24H25N3O5/c1-32-22-5-3-2-4-21(22)25-24(30)27(15-14-17-8-12-20(28)13-9-17)16-18-6-10-19(11-7-18)23(29)26-31/h2-13,28,31H,14-16H2,1H3,(H,25,30)(H,26,29)
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n/an/a 5.80n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50398723
PNG
(CHEMBL2179615 | US10227295, Compound 5d | US940985...)
Show SMILES COc1ccccc1NC(=O)N(CCc1ccc(O)cc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C24H25N3O5/c1-32-22-5-3-2-4-21(22)25-24(30)27(15-14-17-8-12-20(28)13-9-17)16-18-6-10-19(11-7-18)23(29)26-31/h2-13,28,31H,14-16H2,1H3,(H,25,30)(H,26,29)
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n/an/a 5.80n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(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
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n/an/a 6.12n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
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
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n/an/a 6.12n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM239061
PNG
(US10227295, Compound 9c | US9409858, 9c | US975183...)
Show SMILES Cc1cc(NC(=O)NCc2ccc(cc2)C(=O)NO)no1
Show InChI InChI=1S/C13H14N4O4/c1-8-6-11(17-21-8)15-13(19)14-7-9-2-4-10(5-3-9)12(18)16-20/h2-6,20H,7H2,1H3,(H,16,18)(H2,14,15,17,19)
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n/an/a 6.90n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM239061
PNG
(US10227295, Compound 9c | US9409858, 9c | US975183...)
Show SMILES Cc1cc(NC(=O)NCc2ccc(cc2)C(=O)NO)no1
Show InChI InChI=1S/C13H14N4O4/c1-8-6-11(17-21-8)15-13(19)14-7-9-2-4-10(5-3-9)12(18)16-20/h2-6,20H,7H2,1H3,(H,16,18)(H2,14,15,17,19)
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n/an/a 6.90n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM239061
PNG
(US10227295, Compound 9c | US9409858, 9c | US975183...)
Show SMILES Cc1cc(NC(=O)NCc2ccc(cc2)C(=O)NO)no1
Show InChI InChI=1S/C13H14N4O4/c1-8-6-11(17-21-8)15-13(19)14-7-9-2-4-10(5-3-9)12(18)16-20/h2-6,20H,7H2,1H3,(H,16,18)(H2,14,15,17,19)
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n/an/a 6.90n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM337657
PNG
(US10227295, Compound 9a | US9751832, Compound 9a)
Show SMILES OCc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1
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n/an/a 8.30n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM239059
PNG
(US9409858, 9a)
Show SMILES COc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C16H17N3O4/c1-23-14-8-6-13(7-9-14)18-16(21)17-10-11-2-4-12(5-3-11)15(20)19-22/h2-9,22H,10H2,1H3,(H,19,20)(H2,17,18,21)
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n/an/a 8.30n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM337657
PNG
(US10227295, Compound 9a | US9751832, Compound 9a)
Show SMILES OCc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1
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n/an/a 8.30n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398721
PNG
(CHEMBL2179617 | US10227295, Compound 5f | US940985...)
Show SMILES COCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H21N3O4/c1-25-12-11-21(18(23)19-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)17(22)20-24/h2-10,24H,11-13H2,1H3,(H,19,23)(H,20,22)
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n/an/a 9.26n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398721
PNG
(CHEMBL2179617 | US10227295, Compound 5f | US940985...)
Show SMILES COCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H21N3O4/c1-25-12-11-21(18(23)19-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)17(22)20-24/h2-10,24H,11-13H2,1H3,(H,19,23)(H,20,22)
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n/an/a 9.26n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50398721
PNG
(CHEMBL2179617 | US10227295, Compound 5f | US940985...)
Show SMILES COCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H21N3O4/c1-25-12-11-21(18(23)19-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)17(22)20-24/h2-10,24H,11-13H2,1H3,(H,19,23)(H,20,22)
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n/an/a 9.26n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398721
PNG
(CHEMBL2179617 | US10227295, Compound 5f | US940985...)
Show SMILES COCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H21N3O4/c1-25-12-11-21(18(23)19-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)17(22)20-24/h2-10,24H,11-13H2,1H3,(H,19,23)(H,20,22)
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n/an/a 9.26n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
BindingDB Entry DOI: 10.7270/Q2WQ04XP
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM337664
PNG
(US10227295, Compound JB6-22 | US9751832, Compound ...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ncccn1
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n/an/a 9.76n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM337664
PNG
(US10227295, Compound JB6-22 | US9751832, Compound ...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ncccn1
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n/an/a 9.76n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398722
PNG
(CHEMBL2179616 | US10227295, Compound 5e | US940985...)
Show SMILES COCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(19(24)20-17-6-3-2-4-7-17)14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 11.7n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
BindingDB Entry DOI: 10.7270/Q2WQ04XP
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50398722
PNG
(CHEMBL2179616 | US10227295, Compound 5e | US940985...)
Show SMILES COCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(19(24)20-17-6-3-2-4-7-17)14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 11.7n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398722
PNG
(CHEMBL2179616 | US10227295, Compound 5e | US940985...)
Show SMILES COCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(19(24)20-17-6-3-2-4-7-17)14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 11.7n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398722
PNG
(CHEMBL2179616 | US10227295, Compound 5e | US940985...)
Show SMILES COCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(19(24)20-17-6-3-2-4-7-17)14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 11.7n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398720
PNG
(CHEMBL2179619 | US10227295, Compound 5h | US940985...)
Show SMILES ONC(=O)c1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C23H23N3O3/c27-22(25-29)20-13-11-19(12-14-20)17-26(16-15-18-7-3-1-4-8-18)23(28)24-21-9-5-2-6-10-21/h1-14,29H,15-17H2,(H,24,28)(H,25,27)
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n/an/a 14n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
BindingDB Entry DOI: 10.7270/Q2WQ04XP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398720
PNG
(CHEMBL2179619 | US10227295, Compound 5h | US940985...)
Show SMILES ONC(=O)c1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C23H23N3O3/c27-22(25-29)20-13-11-19(12-14-20)17-26(16-15-18-7-3-1-4-8-18)23(28)24-21-9-5-2-6-10-21/h1-14,29H,15-17H2,(H,24,28)(H,25,27)
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n/an/a 14n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398720
PNG
(CHEMBL2179619 | US10227295, Compound 5h | US940985...)
Show SMILES ONC(=O)c1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C23H23N3O3/c27-22(25-29)20-13-11-19(12-14-20)17-26(16-15-18-7-3-1-4-8-18)23(28)24-21-9-5-2-6-10-21/h1-14,29H,15-17H2,(H,24,28)(H,25,27)
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n/an/a 14n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50398720
PNG
(CHEMBL2179619 | US10227295, Compound 5h | US940985...)
Show SMILES ONC(=O)c1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C23H23N3O3/c27-22(25-29)20-13-11-19(12-14-20)17-26(16-15-18-7-3-1-4-8-18)23(28)24-21-9-5-2-6-10-21/h1-14,29H,15-17H2,(H,24,28)(H,25,27)
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Article
n/an/a 14n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(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



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
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



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent




US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
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



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate


J Med Chem 55: 9891-9 (2012)


Article DOI: 10.1021/jm301098e
BindingDB Entry DOI: 10.7270/Q2WQ04XP
More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM239062
PNG
(US10227295, Compound 10b | US9409858, 10b)
Show SMILES CC(C)[C@H]1N(Cc2ccc(cc2)C(=O)NO)C(=O)N(C1=O)c1ccccc1 |r|
Show InChI InChI=1/C20H21N3O4/c1-13(2)17-19(25)23(16-6-4-3-5-7-16)20(26)22(17)12-14-8-10-15(11-9-14)18(24)21-27/h3-11,13,17,27H,12H2,1-2H3,(H,21,24)/t17-/s2
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n/an/a 22.2n/an/an/an/an/an/a



Vernalis (R&D) Ltd





J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM239062
PNG
(US10227295, Compound 10b | US9409858, 10b)
Show SMILES CC(C)[C@H]1N(Cc2ccc(cc2)C(=O)NO)C(=O)N(C1=O)c1ccccc1 |r|
Show InChI InChI=1/C20H21N3O4/c1-13(2)17-19(25)23(16-6-4-3-5-7-16)20(26)22(17)12-14-8-10-15(11-9-14)18(24)21-27/h3-11,13,17,27H,12H2,1-2H3,(H,21,24)/t17-/s2
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n/an/a 22.2n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
More data for this
Ligand-Target Pair
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