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PubMed code 21420859

Compile data set for download or QSAR
Found 7 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))
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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Similars

PDB
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50483618
PNG
(CHEMBL1760915)
Show SMILES ONC(=O)CCCC1CCN(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H25N3O3/c21-16(19-23)8-4-7-14-9-11-20(12-10-14)17(22)18-13-15-5-2-1-3-6-15/h1-3,5-6,14,23H,4,7-13H2,(H,18,22)(H,19,21)
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antibodypedia
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50483617
PNG
(CHEMBL1760914)
Show SMILES ONC(=O)CCCC1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H23N3O3/c20-15(18-22)8-4-5-13-9-11-19(12-10-13)16(21)17-14-6-2-1-3-7-14/h1-3,6-7,13,22H,4-5,8-12H2,(H,17,21)(H,18,20)
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50483619
PNG
(CHEMBL1760913)
Show SMILES ONC(=O)CCCC1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C17H24N2O3/c20-16(18-22)8-4-7-14-9-11-19(12-10-14)17(21)13-15-5-2-1-3-6-15/h1-3,5-6,14,22H,4,7-13H2,(H,18,20)
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antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50483615
PNG
(CHEMBL1760911)
Show SMILES ONC(=O)CCCC1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H22N2O4S/c18-15(16-19)8-4-5-13-9-11-17(12-10-13)22(20,21)14-6-2-1-3-7-14/h1-3,6-7,13,19H,4-5,8-12H2,(H,16,18)
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50483614
PNG
(CHEMBL1760910)
Show SMILES ONC(=O)CCCC1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C16H24N2O4S/c19-16(17-20)8-4-7-14-9-11-18(12-10-14)23(21,22)13-15-5-2-1-3-6-15/h1-3,5-6,14,20H,4,7-13H2,(H,17,19)
PDB

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antibodypedia
antibodypedia
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antibodypedia
antibodypedia
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antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50483616
PNG
(CHEMBL1760912)
Show SMILES ONC(=O)CCCC1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H22N2O3/c19-15(17-21)8-4-5-13-9-11-18(12-10-13)16(20)14-6-2-1-3-7-14/h1-3,6-7,13,21H,4-5,8-12H2,(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells by fluorescent activity assay


Bioorg Med Chem Lett 21: 2305-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.085
BindingDB Entry DOI: 10.7270/Q2VQ35HJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%