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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50082666   
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 2b


(Zea mays)
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
KEGG

UniProtKB/TrEMBL

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n/an/a 100n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of maize Histone deacetylase 2 (HD-2) activity


J Med Chem 42: 4669-79 (1999)


BindingDB Entry DOI: 10.7270/Q2PC31M7
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
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n/an/a 100n/an/an/an/an/an/a



Aton Pharma, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize Histone deacetylase 2


J Med Chem 46: 5097-116 (2003)


Article DOI: 10.1021/jm0303094
BindingDB Entry DOI: 10.7270/Q2MP5413
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
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n/an/a 152n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC)


Bioorg Med Chem Lett 13: 1861-4 (2003)


BindingDB Entry DOI: 10.7270/Q2WW7KW0
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
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n/an/a 153n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 3b


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
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n/an/a 216n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 3a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
PDB

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UniProtKB/SwissProt

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n/an/a 244n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Histone deacetylase (HDAC) enzyme by 50%


J Med Chem 45: 753-7 (2002)


Article DOI: 10.1021/jm015568c
BindingDB Entry DOI: 10.7270/Q2T156D5
More data for this
Ligand-Target Pair
Histone deacetylase


(Rattus norvegicus)
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
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n/an/a 640n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 5a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50082666
PNG
(4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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n/an/a 1.87E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibitory concentration against human histone deacetylase (HDAC) from HeLa cells with substrate 5a


J Med Chem 47: 5235-43 (2004)


Article DOI: 10.1021/jm0497592
BindingDB Entry DOI: 10.7270/Q2086839
More data for this
Ligand-Target Pair