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PubMed code 26331334

Compile data set for download or QSAR
Found 99 hits of Enzyme Inhibition Constant Data   
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 1


(Homo sapiens (Human))
BDBM50123617
PNG
(CHEMBL3622726)
Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/s2
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n/an/a 0.120n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50123617
PNG
(CHEMBL3622726)
Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/s2
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n/an/a 1.40n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123618
PNG
(CHEMBL3622727)
Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/s2
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n/an/a 2.20n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123620
PNG
(CHEMBL3622729)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r|
Show InChI InChI=1/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/s2
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n/an/a 2.80n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50123617
PNG
(CHEMBL3622726)
Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/s2
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n/an/a 3.90n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50123617
PNG
(CHEMBL3622726)
Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/s2
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n/an/a 4.80n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50123620
PNG
(CHEMBL3622729)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r|
Show InChI InChI=1/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/s2
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n/an/a 7.70n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50123618
PNG
(CHEMBL3622727)
Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/s2
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n/an/a 9.80n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123634
PNG
(CHEMBL3622731)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r|
Show InChI InChI=1/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/s2
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n/an/a 22n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50123617
PNG
(CHEMBL3622726)
Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/s2
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n/an/a 25n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 26n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50123620
PNG
(CHEMBL3622729)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r|
Show InChI InChI=1/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/s2
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n/an/a 37n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50123618
PNG
(CHEMBL3622727)
Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/s2
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n/an/a 37n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50123620
PNG
(CHEMBL3622729)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r|
Show InChI InChI=1/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/s2
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n/an/a 45n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50123634
PNG
(CHEMBL3622731)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r|
Show InChI InChI=1/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/s2
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n/an/a 73n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

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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n/an/a 89n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50123618
PNG
(CHEMBL3622727)
Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/s2
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n/an/a 138n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50123617
PNG
(CHEMBL3622726)
Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/s2
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n/an/a 149n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123628
PNG
(CHEMBL3622730)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/s2
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n/an/a 158n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50123619
PNG
(CHEMBL3622728)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/s2
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n/an/a 165n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

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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n/an/a 323n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50123634
PNG
(CHEMBL3622731)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r|
Show InChI InChI=1/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/s2
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n/an/a 328n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50123620
PNG
(CHEMBL3622729)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r|
Show InChI InChI=1/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/s2
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n/an/a 331n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50123619
PNG
(CHEMBL3622728)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/s2
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n/an/a 395n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50123618
PNG
(CHEMBL3622727)
Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/s2
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n/an/a 459n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

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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n/an/a 686n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50123634
PNG
(CHEMBL3622731)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r|
Show InChI InChI=1/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/s2
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n/an/a 751n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 760n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 859n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50123628
PNG
(CHEMBL3622730)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/s2
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n/an/a 1.68E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50123617
PNG
(CHEMBL3622726)
Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/s2
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n/an/a 1.76E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 1.85E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50123628
PNG
(CHEMBL3622730)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/s2
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n/an/a 1.93E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 2.21E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50123617
PNG
(CHEMBL3622726)
Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/s2
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n/an/a 2.36E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50123618
PNG
(CHEMBL3622727)
Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/s2
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n/an/a 2.55E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 2.58E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50123628
PNG
(CHEMBL3622730)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/s2
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n/an/a 2.71E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50123619
PNG
(CHEMBL3622728)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/s2
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n/an/a 2.74E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50123619
PNG
(CHEMBL3622728)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/s2
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n/an/a 3.15E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50123620
PNG
(CHEMBL3622729)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r|
Show InChI InChI=1/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/s2
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n/an/a 3.55E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(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 3.57E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50123634
PNG
(CHEMBL3622731)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r|
Show InChI InChI=1/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/s2
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n/an/a 4.63E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

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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n/an/a 4.89E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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n/an/a 6.07E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(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 6.11E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50123628
PNG
(CHEMBL3622730)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/s2
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n/an/a 6.95E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50123617
PNG
(CHEMBL3622726)
Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/s2
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n/an/a 9.57E+3n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50123628
PNG
(CHEMBL3622730)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50123634
PNG
(CHEMBL3622731)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r|
Show InChI InChI=1/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50123628
PNG
(CHEMBL3622730)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50123628
PNG
(CHEMBL3622730)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50123617
PNG
(CHEMBL3622726)
Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50123628
PNG
(CHEMBL3622730)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50123620
PNG
(CHEMBL3622729)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r|
Show InChI InChI=1/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50123620
PNG
(CHEMBL3622729)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r|
Show InChI InChI=1/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50123634
PNG
(CHEMBL3622731)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r|
Show InChI InChI=1/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50123619
PNG
(CHEMBL3622728)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50123634
PNG
(CHEMBL3622731)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r|
Show InChI InChI=1/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50123618
PNG
(CHEMBL3622727)
Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50123619
PNG
(CHEMBL3622728)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50123620
PNG
(CHEMBL3622729)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r|
Show InChI InChI=1/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50123628
PNG
(CHEMBL3622730)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50123634
PNG
(CHEMBL3622731)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r|
Show InChI InChI=1/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50123618
PNG
(CHEMBL3622727)
Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50123620
PNG
(CHEMBL3622729)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r|
Show InChI InChI=1/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50123619
PNG
(CHEMBL3622728)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50123619
PNG
(CHEMBL3622728)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

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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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50123618
PNG
(CHEMBL3622727)
Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(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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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50123634
PNG
(CHEMBL3622731)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r|
Show InChI InChI=1/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50123634
PNG
(CHEMBL3622731)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r|
Show InChI InChI=1/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50123620
PNG
(CHEMBL3622729)
Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)n2 |r|
Show InChI InChI=1/C21H28N4O5S2/c1-4-14-19(27)25-18(12(2)3)21(29)30-13(7-5-6-8-31)9-16(26)22-10-17-23-15(11-32-17)20(28)24-14/h4-5,7,11-13,18,31H,6,8-10H2,1-3H3,(H,22,26)(H,24,28)(H,25,27)/b7-5+,14-4-/t13-,18+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50123619
PNG
(CHEMBL3622728)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50123619
PNG
(CHEMBL3622728)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50123617
PNG
(CHEMBL3622726)
Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H38N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15(9-7-8-10-35)11-18(29)27-19(13(2)3)23(32)26-17(12-36)22(31)25-16/h6-7,9,13-15,17,19-20,35-36H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50123619
PNG
(CHEMBL3622728)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)c2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C32H48N4O6S2/c1-7-9-10-11-12-16-26(38)43-17-14-13-15-22-18-25(37)35-27(20(3)4)31-34-24(19-44-31)30(40)33-23(8-2)29(39)36-28(21(5)6)32(41)42-22/h8,13,15,19-22,27-28H,7,9-12,14,16-18H2,1-6H3,(H,33,40)(H,35,37)(H,36,39)/b15-13+,23-8-/t22-,27-,28+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50123628
PNG
(CHEMBL3622730)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50123618
PNG
(CHEMBL3622727)
Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50123618
PNG
(CHEMBL3622727)
Show SMILES C\C=C1/NC(=O)c2csc(n2)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r|
Show InChI InChI=1/C24H34N4O5S2/c1-6-16-21(30)28-20(14(4)5)24(32)33-15(9-7-8-10-34)11-18(29)27-19(13(2)3)23-26-17(12-35-23)22(31)25-16/h6-7,9,12-15,19-20,34H,8,10-11H2,1-5H3,(H,25,31)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,19-,20+/s2
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Guangzhou Institute of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay


J Med Chem 58: 7672-80 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%