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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'friis' and Initial = 't'   
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 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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7n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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8n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(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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12n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 11


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



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
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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22n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(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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40n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50032270
PNG
(CHEMBL3352995)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C28H39N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h7-8,10-11,15-17,19,22,25,29H,4-6,9,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/t17-,19-,22-,25-/s2
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170n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50032272
PNG
(CHEMBL3352994)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H38N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h9-12,15-16,18,20,23,31H,4-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t16-,18-,20-,23-/s2
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200n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50032267
PNG
(CHEMBL3352997)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C28H37N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h4-5,7-8,10-11,15-17,19,22,25,29H,6,9,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/b5-4-/t17-,19-,22-,25-/s2
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200n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50032267
PNG
(CHEMBL3352997)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C28H37N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h4-5,7-8,10-11,15-17,19,22,25,29H,6,9,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/b5-4-/t17-,19-,22-,25-/s2
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230n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50032272
PNG
(CHEMBL3352994)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H38N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h9-12,15-16,18,20,23,31H,4-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t16-,18-,20-,23-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50032266
PNG
(CHEMBL3352823)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50032266
PNG
(CHEMBL3352823)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50032267
PNG
(CHEMBL3352997)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C28H37N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h4-5,7-8,10-11,15-17,19,22,25,29H,6,9,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/b5-4-/t17-,19-,22-,25-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50032272
PNG
(CHEMBL3352994)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H38N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h9-12,15-16,18,20,23,31H,4-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t16-,18-,20-,23-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50032266
PNG
(CHEMBL3352823)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50032266
PNG
(CHEMBL3352823)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50032270
PNG
(CHEMBL3352995)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C28H39N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h7-8,10-11,15-17,19,22,25,29H,4-6,9,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/t17-,19-,22-,25-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50032270
PNG
(CHEMBL3352995)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C28H39N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h7-8,10-11,15-17,19,22,25,29H,4-6,9,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/t17-,19-,22-,25-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50032269
PNG
(CHEMBL3352992)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C28H37N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h5,7-11,15-17,19,22,25,29H,4,6,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/b9-5+/t17-,19-,22-,25-/s2
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400n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50032267
PNG
(CHEMBL3352997)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C28H37N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h4-5,7-8,10-11,15-17,19,22,25,29H,6,9,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/b5-4-/t17-,19-,22-,25-/s2
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500n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50032270
PNG
(CHEMBL3352995)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C28H39N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h7-8,10-11,15-17,19,22,25,29H,4-6,9,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/t17-,19-,22-,25-/s2
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500n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50032271
PNG
(CHEMBL3352991)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h5,7,9-12,15-16,18,20,23,31H,4,6,8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b7-5+/t16-,18-,20-,23-/s2
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500n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50032269
PNG
(CHEMBL3352992)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C28H37N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h5,7-11,15-17,19,22,25,29H,4,6,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/b9-5+/t17-,19-,22-,25-/s2
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500n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50032274
PNG
(CHEMBL3352996)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H36N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4-8,10-11,16-17,19-20,23H,9,12-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/b8-5-/t17-,19-,20-,23-/s2
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600n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50032271
PNG
(CHEMBL3352991)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h5,7,9-12,15-16,18,20,23,31H,4,6,8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b7-5+/t16-,18-,20-,23-/s2
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600n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50032269
PNG
(CHEMBL3352992)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C28H37N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h5,7-11,15-17,19,22,25,29H,4,6,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/b9-5+/t17-,19-,22-,25-/s2
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600n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50032269
PNG
(CHEMBL3352992)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C28H37N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h5,7-11,15-17,19,22,25,29H,4,6,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/b9-5+/t17-,19-,22-,25-/s2
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600n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50032273
PNG
(CHEMBL3352993)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H38N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4,6-7,10-11,16-17,19-20,23H,5,8-9,12-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/t17-,19-,20-,23-/s2
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700n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50032271
PNG
(CHEMBL3352991)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h5,7,9-12,15-16,18,20,23,31H,4,6,8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b7-5+/t16-,18-,20-,23-/s2
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700n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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700n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50032274
PNG
(CHEMBL3352996)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H36N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4-8,10-11,16-17,19-20,23H,9,12-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/b8-5-/t17-,19-,20-,23-/s2
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700n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50032271
PNG
(CHEMBL3352991)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h5,7,9-12,15-16,18,20,23,31H,4,6,8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b7-5+/t16-,18-,20-,23-/s2
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700n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50032274
PNG
(CHEMBL3352996)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H36N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4-8,10-11,16-17,19-20,23H,9,12-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/b8-5-/t17-,19-,20-,23-/s2
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800n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50032266
PNG
(CHEMBL3352823)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/s2
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800n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50032273
PNG
(CHEMBL3352993)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H38N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4,6-7,10-11,16-17,19-20,23H,5,8-9,12-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/t17-,19-,20-,23-/s2
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800n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50032274
PNG
(CHEMBL3352996)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H36N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4-8,10-11,16-17,19-20,23H,9,12-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/b8-5-/t17-,19-,20-,23-/s2
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900n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50032273
PNG
(CHEMBL3352993)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H38N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4,6-7,10-11,16-17,19-20,23H,5,8-9,12-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/t17-,19-,20-,23-/s2
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900n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50032267
PNG
(CHEMBL3352997)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C28H37N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h4-5,7-8,10-11,15-17,19,22,25,29H,6,9,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/b5-4-/t17-,19-,22-,25-/s2
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900n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50032270
PNG
(CHEMBL3352995)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C28H39N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h7-8,10-11,15-17,19,22,25,29H,4-6,9,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/t17-,19-,22-,25-/s2
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900n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50032272
PNG
(CHEMBL3352994)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H38N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h9-12,15-16,18,20,23,31H,4-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t16-,18-,20-,23-/s2
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1.00E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50032272
PNG
(CHEMBL3352994)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H38N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h9-12,15-16,18,20,23,31H,4-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t16-,18-,20-,23-/s2
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1.00E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50032273
PNG
(CHEMBL3352993)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](CCCCCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H38N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4,6-7,10-11,16-17,19-20,23H,5,8-9,12-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/t17-,19-,20-,23-/s2
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1.00E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50032269
PNG
(CHEMBL3352992)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C28H37N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h5,7-11,15-17,19,22,25,29H,4,6,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/b9-5+/t17-,19-,22-,25-/s2
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1.10E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50032268
PNG
(CHEMBL3352990)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C26H36N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4,6-8,10-12,16-17,19-20,23H,5,9,13-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/b12-8+/t17-,19-,20-,23-/s2
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1.20E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50032271
PNG
(CHEMBL3352991)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h5,7,9-12,15-16,18,20,23,31H,4,6,8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b7-5+/t16-,18-,20-,23-/s2
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1.30E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50032268
PNG
(CHEMBL3352990)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C26H36N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4,6-8,10-12,16-17,19-20,23H,5,9,13-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/b12-8+/t17-,19-,20-,23-/s2
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1.40E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50032274
PNG
(CHEMBL3352996)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |r|
Show InChI InChI=1/C26H36N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4-8,10-11,16-17,19-20,23H,9,12-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/b8-5-/t17-,19-,20-,23-/s2
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1.50E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50032268
PNG
(CHEMBL3352990)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C26H36N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4,6-8,10-12,16-17,19-20,23H,5,9,13-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/b12-8+/t17-,19-,20-,23-/s2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50032268
PNG
(CHEMBL3352990)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C26H36N4O6/c1-16(2)23-26(36)27-17(3)24(34)29-20(14-18-10-6-4-7-11-18)25(35)28-19(15-21(31)30-23)12-8-5-9-13-22(32)33/h4,6-8,10-12,16-17,19-20,23H,5,9,13-15H2,1-3H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)/b12-8+/t17-,19-,20-,23-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair
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