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PubMed code 26814680

Compile data set for download or QSAR
Found 71 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


(Homo sapiens (Human))
BDBM50143997
PNG
(CHEMBL3759562)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccncc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-7-3-1-2-4-10-21)14-11-13(18-19-14)12-5-8-16-9-6-12/h5-6,8-9,11,21H,1-4,7,10H2,(H,17,20)(H,18,19)
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n/an/a 8n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50143997
PNG
(CHEMBL3759562)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccncc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-7-3-1-2-4-10-21)14-11-13(18-19-14)12-5-8-16-9-6-12/h5-6,8-9,11,21H,1-4,7,10H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50143997
PNG
(CHEMBL3759562)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccncc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-7-3-1-2-4-10-21)14-11-13(18-19-14)12-5-8-16-9-6-12/h5-6,8-9,11,21H,1-4,7,10H2,(H,17,20)(H,18,19)
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n/an/a 12n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50143996
PNG
(CHEMBL3758882)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-8-3-1-2-4-9-21)14-10-13(18-19-14)12-6-5-7-16-11-12/h5-7,10-11,21H,1-4,8-9H2,(H,17,20)(H,18,19)
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n/an/a 15n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50144216
PNG
(CHEMBL3760013)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cnccn1
Show InChI InChI=1S/C14H19N5OS/c20-14(17-5-3-1-2-4-8-21)12-9-11(18-19-12)13-10-15-6-7-16-13/h6-7,9-10,21H,1-5,8H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50143997
PNG
(CHEMBL3759562)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccncc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-7-3-1-2-4-10-21)14-11-13(18-19-14)12-5-8-16-9-6-12/h5-6,8-9,11,21H,1-4,7,10H2,(H,17,20)(H,18,19)
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n/an/a 18n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50144216
PNG
(CHEMBL3760013)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cnccn1
Show InChI InChI=1S/C14H19N5OS/c20-14(17-5-3-1-2-4-8-21)12-9-11(18-19-12)13-10-15-6-7-16-13/h6-7,9-10,21H,1-5,8H2,(H,17,20)(H,18,19)
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n/an/a 18n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50144216
PNG
(CHEMBL3760013)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cnccn1
Show InChI InChI=1S/C14H19N5OS/c20-14(17-5-3-1-2-4-8-21)12-9-11(18-19-12)13-10-15-6-7-16-13/h6-7,9-10,21H,1-5,8H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50144210
PNG
(CHEMBL3759791)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H21N3OS/c20-16(17-10-6-1-2-7-11-21)15-12-14(18-19-15)13-8-4-3-5-9-13/h3-5,8-9,12,21H,1-2,6-7,10-11H2,(H,17,20)(H,18,19)
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n/an/a 23n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50144216
PNG
(CHEMBL3760013)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cnccn1
Show InChI InChI=1S/C14H19N5OS/c20-14(17-5-3-1-2-4-8-21)12-9-11(18-19-12)13-10-15-6-7-16-13/h6-7,9-10,21H,1-5,8H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
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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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50143996
PNG
(CHEMBL3758882)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-8-3-1-2-4-9-21)14-10-13(18-19-14)12-6-5-7-16-11-12/h5-7,10-11,21H,1-4,8-9H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50143995
PNG
(CHEMBL3758261)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccccn1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-9-4-1-2-6-10-21)14-11-13(18-19-14)12-7-3-5-8-16-12/h3,5,7-8,11,21H,1-2,4,6,9-10H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50143996
PNG
(CHEMBL3758882)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-8-3-1-2-4-9-21)14-10-13(18-19-14)12-6-5-7-16-11-12/h5-7,10-11,21H,1-4,8-9H2,(H,17,20)(H,18,19)
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n/an/a 29n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50144210
PNG
(CHEMBL3759791)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H21N3OS/c20-16(17-10-6-1-2-7-11-21)15-12-14(18-19-15)13-8-4-3-5-9-13/h3-5,8-9,12,21H,1-2,6-7,10-11H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50144214
PNG
(CHEMBL3759322)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H22N4OS/c23-18(19-9-5-1-2-6-10-24)17-11-16(21-22-17)14-12-20-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,20,24H,1-2,5-6,9-10H2,(H,19,23)(H,21,22)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50143995
PNG
(CHEMBL3758261)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccccn1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-9-4-1-2-6-10-21)14-11-13(18-19-14)12-7-3-5-8-16-12/h3,5,7-8,11,21H,1-2,4,6,9-10H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50144207
PNG
(CHEMBL3758334)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H25N3OS/c26-22(23-14-6-1-2-7-15-27)21-16-20(24-25-21)19-12-10-18(11-13-19)17-8-4-3-5-9-17/h3-5,8-13,16,27H,1-2,6-7,14-15H2,(H,23,26)(H,24,25)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50143996
PNG
(CHEMBL3758882)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-8-3-1-2-4-9-21)14-10-13(18-19-14)12-6-5-7-16-11-12/h5-7,10-11,21H,1-4,8-9H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
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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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50144209
PNG
(CHEMBL3760115)
Show SMILES COc1ccc(cc1OC)-c1cc([nH]n1)C(=O)NCCCCCCS
Show InChI InChI=1S/C18H25N3O3S/c1-23-16-8-7-13(11-17(16)24-2)14-12-15(21-20-14)18(22)19-9-5-3-4-6-10-25/h7-8,11-12,25H,3-6,9-10H2,1-2H3,(H,19,22)(H,20,21)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50144209
PNG
(CHEMBL3760115)
Show SMILES COc1ccc(cc1OC)-c1cc([nH]n1)C(=O)NCCCCCCS
Show InChI InChI=1S/C18H25N3O3S/c1-23-16-8-7-13(11-17(16)24-2)14-12-15(21-20-14)18(22)19-9-5-3-4-6-10-25/h7-8,11-12,25H,3-6,9-10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a 56n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM152692
PNG
(Thiol-SAHA (t-SAHA))
Show SMILES SCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50144216
PNG
(CHEMBL3760013)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cnccn1
Show InChI InChI=1S/C14H19N5OS/c20-14(17-5-3-1-2-4-8-21)12-9-11(18-19-12)13-10-15-6-7-16-13/h6-7,9-10,21H,1-5,8H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50144214
PNG
(CHEMBL3759322)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H22N4OS/c23-18(19-9-5-1-2-6-10-24)17-11-16(21-22-17)14-12-20-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,20,24H,1-2,5-6,9-10H2,(H,19,23)(H,21,22)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50143997
PNG
(CHEMBL3759562)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccncc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-7-3-1-2-4-10-21)14-11-13(18-19-14)12-5-8-16-9-6-12/h5-6,8-9,11,21H,1-4,7,10H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM152692
PNG
(Thiol-SAHA (t-SAHA))
Show SMILES SCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50144212
PNG
(CHEMBL3759941)
Show SMILES SCCCCCCNC(=O)c1ccn[nH]1
Show InChI InChI=1S/C10H17N3OS/c14-10(9-5-7-12-13-9)11-6-3-1-2-4-8-15/h5,7,15H,1-4,6,8H2,(H,11,14)(H,12,13)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
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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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50144208
PNG
(CHEMBL3759998)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc([nH]n1)C(=O)NCCCCCCS
Show InChI InChI=1S/C19H27N3O4S/c1-24-16-10-13(11-17(25-2)18(16)26-3)14-12-15(22-21-14)19(23)20-8-6-4-5-7-9-27/h10-12,27H,4-9H2,1-3H3,(H,20,23)(H,21,22)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50144212
PNG
(CHEMBL3759941)
Show SMILES SCCCCCCNC(=O)c1ccn[nH]1
Show InChI InChI=1S/C10H17N3OS/c14-10(9-5-7-12-13-9)11-6-3-1-2-4-8-15/h5,7,15H,1-4,6,8H2,(H,11,14)(H,12,13)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50144210
PNG
(CHEMBL3759791)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H21N3OS/c20-16(17-10-6-1-2-7-11-21)15-12-14(18-19-15)13-8-4-3-5-9-13/h3-5,8-9,12,21H,1-2,6-7,10-11H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50144208
PNG
(CHEMBL3759998)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc([nH]n1)C(=O)NCCCCCCS
Show InChI InChI=1S/C19H27N3O4S/c1-24-16-10-13(11-17(25-2)18(16)26-3)14-12-15(22-21-14)19(23)20-8-6-4-5-7-9-27/h10-12,27H,4-9H2,1-3H3,(H,20,23)(H,21,22)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50143998
PNG
(CHEMBL3759836)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N3OS/c24-20(21-11-5-1-2-6-12-25)19-14-18(22-23-19)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14,25H,1-2,5-6,11-12H2,(H,21,24)(H,22,23)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50144207
PNG
(CHEMBL3758334)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H25N3OS/c26-22(23-14-6-1-2-7-15-27)21-16-20(24-25-21)19-12-10-18(11-13-19)17-8-4-3-5-9-17/h3-5,8-13,16,27H,1-2,6-7,14-15H2,(H,23,26)(H,24,25)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50143995
PNG
(CHEMBL3758261)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccccn1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-9-4-1-2-6-10-21)14-11-13(18-19-14)12-7-3-5-8-16-12/h3,5,7-8,11,21H,1-2,4,6,9-10H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50143998
PNG
(CHEMBL3759836)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N3OS/c24-20(21-11-5-1-2-6-12-25)19-14-18(22-23-19)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14,25H,1-2,5-6,11-12H2,(H,21,24)(H,22,23)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
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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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 136n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50144214
PNG
(CHEMBL3759322)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H22N4OS/c23-18(19-9-5-1-2-6-10-24)17-11-16(21-22-17)14-12-20-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,20,24H,1-2,5-6,9-10H2,(H,19,23)(H,21,22)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50144217
PNG
(CHEMBL3760046)
Show SMILES COc1ccc(cc1)-c1cc([nH]n1)C(=O)NCCCCCCS
Show InChI InChI=1S/C17H23N3O2S/c1-22-14-8-6-13(7-9-14)15-12-16(20-19-15)17(21)18-10-4-2-3-5-11-23/h6-9,12,23H,2-5,10-11H2,1H3,(H,18,21)(H,19,20)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50144217
PNG
(CHEMBL3760046)
Show SMILES COc1ccc(cc1)-c1cc([nH]n1)C(=O)NCCCCCCS
Show InChI InChI=1S/C17H23N3O2S/c1-22-14-8-6-13(7-9-14)15-12-16(20-19-15)17(21)18-10-4-2-3-5-11-23/h6-9,12,23H,2-5,10-11H2,1H3,(H,18,21)(H,19,20)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM152692
PNG
(Thiol-SAHA (t-SAHA))
Show SMILES SCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50143996
PNG
(CHEMBL3758882)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-8-3-1-2-4-9-21)14-10-13(18-19-14)12-6-5-7-16-11-12/h5-7,10-11,21H,1-4,8-9H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50144207
PNG
(CHEMBL3758334)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H25N3OS/c26-22(23-14-6-1-2-7-15-27)21-16-20(24-25-21)19-12-10-18(11-13-19)17-8-4-3-5-9-17/h3-5,8-13,16,27H,1-2,6-7,14-15H2,(H,23,26)(H,24,25)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50143998
PNG
(CHEMBL3759836)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N3OS/c24-20(21-11-5-1-2-6-12-25)19-14-18(22-23-19)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14,25H,1-2,5-6,11-12H2,(H,21,24)(H,22,23)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50144211
PNG
(CHEMBL3758451)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)C1CCCCC1
Show InChI InChI=1S/C16H27N3OS/c20-16(17-10-6-1-2-7-11-21)15-12-14(18-19-15)13-8-4-3-5-9-13/h12-13,21H,1-11H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50143999
PNG
(CHEMBL3758595)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cccc2ccccc12
Show InChI InChI=1S/C20H23N3OS/c24-20(21-12-5-1-2-6-13-25)19-14-18(22-23-19)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,14,25H,1-2,5-6,12-13H2,(H,21,24)(H,22,23)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50143534
PNG
(CHEMBL3758444)
Show SMILES Fc1ccc(cc1)-c1cc([nH]n1)C(=O)NCCCCCCS
Show InChI InChI=1S/C16H20FN3OS/c17-13-7-5-12(6-8-13)14-11-15(20-19-14)16(21)18-9-3-1-2-4-10-22/h5-8,11,22H,1-4,9-10H2,(H,18,21)(H,19,20)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50144209
PNG
(CHEMBL3760115)
Show SMILES COc1ccc(cc1OC)-c1cc([nH]n1)C(=O)NCCCCCCS
Show InChI InChI=1S/C18H25N3O3S/c1-23-16-8-7-13(11-17(16)24-2)14-12-15(21-20-14)18(22)19-9-5-3-4-6-10-25/h7-8,11-12,25H,3-6,9-10H2,1-2H3,(H,19,22)(H,20,21)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50144211
PNG
(CHEMBL3758451)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)C1CCCCC1
Show InChI InChI=1S/C16H27N3OS/c20-16(17-10-6-1-2-7-11-21)15-12-14(18-19-15)13-8-4-3-5-9-13/h12-13,21H,1-11H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50144211
PNG
(CHEMBL3758451)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)C1CCCCC1
Show InChI InChI=1S/C16H27N3OS/c20-16(17-10-6-1-2-7-11-21)15-12-14(18-19-15)13-8-4-3-5-9-13/h12-13,21H,1-11H2,(H,17,20)(H,18,19)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50144208
PNG
(CHEMBL3759998)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc([nH]n1)C(=O)NCCCCCCS
Show InChI InChI=1S/C19H27N3O4S/c1-24-16-10-13(11-17(25-2)18(16)26-3)14-12-15(22-21-14)19(23)20-8-6-4-5-7-9-27/h10-12,27H,4-9H2,1-3H3,(H,20,23)(H,21,22)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50143999
PNG
(CHEMBL3758595)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cccc2ccccc12
Show InChI InChI=1S/C20H23N3OS/c24-20(21-12-5-1-2-6-13-25)19-14-18(22-23-19)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,14,25H,1-2,5-6,12-13H2,(H,21,24)(H,22,23)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50144212
PNG
(CHEMBL3759941)
Show SMILES SCCCCCCNC(=O)c1ccn[nH]1
Show InChI InChI=1S/C10H17N3OS/c14-10(9-5-7-12-13-9)11-6-3-1-2-4-8-15/h5,7,15H,1-4,6,8H2,(H,11,14)(H,12,13)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50143534
PNG
(CHEMBL3758444)
Show SMILES Fc1ccc(cc1)-c1cc([nH]n1)C(=O)NCCCCCCS
Show InChI InChI=1S/C16H20FN3OS/c17-13-7-5-12(6-8-13)14-11-15(20-19-14)16(21)18-9-3-1-2-4-10-22/h5-8,11,22H,1-4,9-10H2,(H,18,21)(H,19,20)
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50143999
PNG
(CHEMBL3758595)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cccc2ccccc12
Show InChI InChI=1S/C20H23N3OS/c24-20(21-12-5-1-2-6-13-25)19-14-18(22-23-19)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,14,25H,1-2,5-6,12-13H2,(H,21,24)(H,22,23)
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n/an/a 608n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50144218
PNG
(CHEMBL3758409)
Show SMILES Cc1cc([nH]n1)C(=O)NCCCCCCS
Show InChI InChI=1S/C11H19N3OS/c1-9-8-10(14-13-9)11(15)12-6-4-2-3-5-7-16/h8,16H,2-7H2,1H3,(H,12,15)(H,13,14)
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n/an/a 715n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50143534
PNG
(CHEMBL3758444)
Show SMILES Fc1ccc(cc1)-c1cc([nH]n1)C(=O)NCCCCCCS
Show InChI InChI=1S/C16H20FN3OS/c17-13-7-5-12(6-8-13)14-11-15(20-19-14)16(21)18-9-3-1-2-4-10-22/h5-8,11,22H,1-4,9-10H2,(H,18,21)(H,19,20)
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n/an/a 758n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
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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n/an/a 2.14E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 m...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50144216
PNG
(CHEMBL3760013)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cnccn1
Show InChI InChI=1S/C14H19N5OS/c20-14(17-5-3-1-2-4-8-21)12-9-11(18-19-12)13-10-15-6-7-16-13/h6-7,9-10,21H,1-5,8H2,(H,17,20)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 m...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50143996
PNG
(CHEMBL3758882)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-8-3-1-2-4-9-21)14-10-13(18-19-14)12-6-5-7-16-11-12/h5-7,10-11,21H,1-4,8-9H2,(H,17,20)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 m...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50144216
PNG
(CHEMBL3760013)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cnccn1
Show InChI InChI=1S/C14H19N5OS/c20-14(17-5-3-1-2-4-8-21)12-9-11(18-19-12)13-10-15-6-7-16-13/h6-7,9-10,21H,1-5,8H2,(H,17,20)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 ...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50143997
PNG
(CHEMBL3759562)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccncc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-7-3-1-2-4-10-21)14-11-13(18-19-14)12-5-8-16-9-6-12/h5-6,8-9,11,21H,1-4,7,10H2,(H,17,20)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 m...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50143996
PNG
(CHEMBL3758882)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-8-3-1-2-4-9-21)14-10-13(18-19-14)12-6-5-7-16-11-12/h5-7,10-11,21H,1-4,8-9H2,(H,17,20)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 m...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50143997
PNG
(CHEMBL3759562)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccncc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-7-3-1-2-4-10-21)14-11-13(18-19-14)12-5-8-16-9-6-12/h5-6,8-9,11,21H,1-4,7,10H2,(H,17,20)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 m...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50144216
PNG
(CHEMBL3760013)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cnccn1
Show InChI InChI=1S/C14H19N5OS/c20-14(17-5-3-1-2-4-8-21)12-9-11(18-19-12)13-10-15-6-7-16-13/h6-7,9-10,21H,1-5,8H2,(H,17,20)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 m...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
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>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 m...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50143997
PNG
(CHEMBL3759562)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1ccncc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-7-3-1-2-4-10-21)14-11-13(18-19-14)12-5-8-16-9-6-12/h5-6,8-9,11,21H,1-4,7,10H2,(H,17,20)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 ...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50143996
PNG
(CHEMBL3758882)
Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C15H20N4OS/c20-15(17-8-3-1-2-4-9-21)14-10-13(18-19-14)12-6-5-7-16-11-12/h5-7,10-11,21H,1-4,8-9H2,(H,17,20)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 ...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
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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n/an/a 1.25E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC11 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 ...


Eur J Med Chem 109: 350-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.013
BindingDB Entry DOI: 10.7270/Q20C4XM5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%