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PubMed code 25462271

Compile data set for download or QSAR
Found 33 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 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 24n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50038729
PNG
(CHEMBL3354920)
Show SMILES COc1ccccc1C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
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n/an/a 24n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50038729
PNG
(CHEMBL3354920)
Show SMILES COc1ccccc1C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
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n/an/a 29n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50038729
PNG
(CHEMBL3354920)
Show SMILES COc1ccccc1C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
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n/an/a 33n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50038729
PNG
(CHEMBL3354920)
Show SMILES COc1ccccc1C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
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n/an/a 39n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50038729
PNG
(CHEMBL3354920)
Show SMILES COc1ccccc1C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
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n/an/a 53n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
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 57n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
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 65n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50038729
PNG
(CHEMBL3354920)
Show SMILES COc1ccccc1C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
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n/an/a 65n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50038730
PNG
(CHEMBL3354919)
Show SMILES COc1cccc(c1)C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
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n/an/a 67n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50038745
PNG
(CHEMBL3354915)
Show SMILES ONC(=O)\C=C\c1cccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)c1 |r|
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n/an/a 82n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50038729
PNG
(CHEMBL3354920)
Show SMILES COc1ccccc1C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
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n/an/a 87n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50038747
PNG
(CHEMBL3354913)
Show SMILES COc1ccc(cc1)C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C28H27N3O5/c1-35-23-12-10-20(11-13-23)28(33)30-22(16-21-17-29-26-8-3-2-7-25(21)26)18-36-24-6-4-5-19(15-24)9-14-27(32)31-34/h2-15,17,22,29,34H,16,18H2,1H3,(H,30,33)(H,31,32)/b14-9+/t22-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(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 145n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 175n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50038747
PNG
(CHEMBL3354913)
Show SMILES COc1ccc(cc1)C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C28H27N3O5/c1-35-23-12-10-20(11-13-23)28(33)30-22(16-21-17-29-26-8-3-2-7-25(21)26)18-36-24-6-4-5-19(15-24)9-14-27(32)31-34/h2-15,17,22,29,34H,16,18H2,1H3,(H,30,33)(H,31,32)/b14-9+/t22-/m0/s1
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n/an/a 191n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50038746
PNG
(CHEMBL3354914)
Show SMILES Cc1ccc(cc1)C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C28H27N3O4/c1-19-9-12-21(13-10-19)28(33)30-23(16-22-17-29-26-8-3-2-7-25(22)26)18-35-24-6-4-5-20(15-24)11-14-27(32)31-34/h2-15,17,23,29,34H,16,18H2,1H3,(H,30,33)(H,31,32)/b14-11+/t23-/m0/s1
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n/an/a 219n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50038747
PNG
(CHEMBL3354913)
Show SMILES COc1ccc(cc1)C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C28H27N3O5/c1-35-23-12-10-20(11-13-23)28(33)30-22(16-21-17-29-26-8-3-2-7-25(21)26)18-36-24-6-4-5-19(15-24)9-14-27(32)31-34/h2-15,17,22,29,34H,16,18H2,1H3,(H,30,33)(H,31,32)/b14-9+/t22-/m0/s1
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n/an/a 219n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50038747
PNG
(CHEMBL3354913)
Show SMILES COc1ccc(cc1)C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C28H27N3O5/c1-35-23-12-10-20(11-13-23)28(33)30-22(16-21-17-29-26-8-3-2-7-25(21)26)18-36-24-6-4-5-19(15-24)9-14-27(32)31-34/h2-15,17,22,29,34H,16,18H2,1H3,(H,30,33)(H,31,32)/b14-9+/t22-/m0/s1
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n/an/a 224n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50038742
PNG
(CHEMBL3354917)
Show SMILES ONC(=O)\C=C\c1cccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2Cl)c1 |r|
Show InChI InChI=1S/C27H23Cl2N3O4/c28-19-9-10-23(24(29)14-19)27(34)31-20(13-18-15-30-25-7-2-1-6-22(18)25)16-36-21-5-3-4-17(12-21)8-11-26(33)32-35/h1-12,14-15,20,30,35H,13,16H2,(H,31,34)(H,32,33)/b11-8+/t20-/m0/s1
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n/an/a 259n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50038744
PNG
(CHEMBL3354916)
Show SMILES ONC(=O)\C=C\c1cccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(Cl)c2)c1 |r|
Show InChI InChI=1S/C27H24ClN3O4/c28-21-7-4-6-19(14-21)27(33)30-22(15-20-16-29-25-10-2-1-9-24(20)25)17-35-23-8-3-5-18(13-23)11-12-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b12-11+/t22-/m0/s1
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n/an/a 358n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50004763
PNG
(CHEMBL3233711)
Show SMILES ONC(=O)\C=C\c1cccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)c1 |r|
Show InChI InChI=1S/C27H24ClN3O4/c28-21-11-9-19(10-12-21)27(33)30-22(15-20-16-29-25-7-2-1-6-24(20)25)17-35-23-5-3-4-18(14-23)8-13-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b13-8+/t22-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50039025
PNG
(CHEMBL3233709)
Show SMILES ONC(=O)\C=C\c1cccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)c1 |r|
Show InChI InChI=1S/C27H25N3O4/c31-26(30-33)14-13-19-7-6-10-23(15-19)34-18-22(29-27(32)20-8-2-1-3-9-20)16-21-17-28-25-12-5-4-11-24(21)25/h1-15,17,22,28,33H,16,18H2,(H,29,32)(H,30,31)/b14-13+/t22-/m0/s1
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n/an/a 421n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50038729
PNG
(CHEMBL3354920)
Show SMILES COc1ccccc1C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
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n/an/a 440n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50038877
PNG
(CHEMBL3354909)
Show SMILES ONC(=O)\C=C\c1cccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C28H27N3O4/c32-27(31-34)14-13-21-9-6-10-24(15-21)35-19-23(30-28(33)16-20-7-2-1-3-8-20)17-22-18-29-26-12-5-4-11-25(22)26/h1-15,18,23,29,34H,16-17,19H2,(H,30,33)(H,31,32)/b14-13+/t23-/m0/s1
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n/an/a 448n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50038847
PNG
(CHEMBL3354910)
Show SMILES ONC(=O)\C=C\c1cccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCc2ccccc2)c1 |r|
Show InChI InChI=1S/C29H29N3O4/c33-28(15-13-21-7-2-1-3-8-21)31-24(18-23-19-30-27-12-5-4-11-26(23)27)20-36-25-10-6-9-22(17-25)14-16-29(34)32-35/h1-12,14,16-17,19,24,30,35H,13,15,18,20H2,(H,31,33)(H,32,34)/b16-14+/t24-/m0/s1
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n/an/a 465n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50038781
PNG
(CHEMBL3354911)
Show SMILES ONC(=O)\C=C\c1cccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCc2ccccc2)c1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-29(15-7-10-22-8-2-1-3-9-22)32-25(19-24-20-31-28-14-5-4-13-27(24)28)21-37-26-12-6-11-23(18-26)16-17-30(35)33-36/h1-6,8-9,11-14,16-18,20,25,31,36H,7,10,15,19,21H2,(H,32,34)(H,33,35)/b17-16+/t25-/m0/s1
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n/an/a 499n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50038748
PNG
(CHEMBL3354912)
Show SMILES ONC(=O)\C=C\c1cccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Br)cc2)c1 |r|
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n/an/a 692n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50038741
PNG
(CHEMBL3354918)
Show SMILES ONC(=O)\C=C\c1cccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(Cl)cc(Cl)c2)c1 |r|
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n/an/a 779n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50039002
PNG
(CHEMBL3354908)
Show SMILES CC(NC(=O)OC(C)(C)C)C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
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n/an/a 862n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50038747
PNG
(CHEMBL3354913)
Show SMILES COc1ccc(cc1)C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C28H27N3O5/c1-35-23-12-10-20(11-13-23)28(33)30-22(16-21-17-29-26-8-3-2-7-25(21)26)18-36-24-6-4-5-19(15-24)9-14-27(32)31-34/h2-15,17,22,29,34H,16,18H2,1H3,(H,30,33)(H,31,32)/b14-9+/t22-/m0/s1
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n/an/a 865n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50039005
PNG
(CHEMBL3354907)
Show SMILES CC(C)(C)OC(=O)NCC(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
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n/an/a 886n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50039006
PNG
(CHEMBL3354906)
Show SMILES CC(C)(C)OC(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H29N3O5/c1-25(2,3)33-24(30)27-19(14-18-15-26-22-10-5-4-9-21(18)22)16-32-20-8-6-7-17(13-20)11-12-23(29)28-31/h4-13,15,19,26,31H,14,16H2,1-3H3,(H,27,30)(H,28,29)/b12-11+/t19-/m0/s1
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n/an/a 917n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...


Eur J Med Chem 89: 628-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.077
BindingDB Entry DOI: 10.7270/Q2NG4S8Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%