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7 similar compounds to monomer 19149

Compile data set for download or QSAR
Wt: 292.3
BDBM50138418
Wt: 278.3
BDBM50138420
Wt: 264.3
BDBM50138421
Wt: 250.2
BDBM50138423
Wt: 250.2
BDBM50314138
Wt: 292.3
BDBM50355013
Wt: 320.4
BDBM50401856

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50138418,50138420,50138421,50138423,50314138,50355013,50401856   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50138418
PNG
(8-(Acetyl-hydroxy-amino)-octanoic acid phenylamide...)
Show SMILES CC(=O)N(O)CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C16H24N2O3/c1-14(19)18(21)13-9-4-2-3-8-12-16(20)17-15-10-6-5-7-11-15/h5-7,10-11,21H,2-4,8-9,12-13H2,1H3,(H,17,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 8 (HDAC8) of HeLa nuclear extracts


Bioorg Med Chem Lett 14: 449-53 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.055
BindingDB Entry DOI: 10.7270/Q2HH6JH2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50401856
PNG
(CHEMBL2204664)
Show SMILES CC(C)(C)C(CCCCC(=O)NO)CC(=O)Nc1ccccc1
Show InChI InChI=1S/C18H28N2O3/c1-18(2,3)14(9-7-8-12-16(21)20-23)13-17(22)19-15-10-5-4-6-11-15/h4-6,10-11,14,23H,7-9,12-13H2,1-3H3,(H,19,22)(H,20,21)
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n/an/a 990n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 using Fluor-de-Lys as substrate compound pretreated for 30 mins before substrate addition by fluorescence assay


Bioorg Med Chem Lett 22: 7084-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.093
BindingDB Entry DOI: 10.7270/Q2BV7HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50138420
PNG
(8-(Formyl-hydroxy-amino)-octanoic acid phenylamide...)
Show SMILES ON(CCCCCCCC(=O)Nc1ccccc1)C=O
Show InChI InChI=1S/C15H22N2O3/c18-13-17(20)12-8-3-1-2-7-11-15(19)16-14-9-5-4-6-10-14/h4-6,9-10,13,20H,1-3,7-8,11-12H2,(H,16,19)
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n/an/a 2.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 8 (HDAC8) of HeLa nuclear extracts


Bioorg Med Chem Lett 14: 449-53 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.055
BindingDB Entry DOI: 10.7270/Q2HH6JH2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50138421
PNG
(7-(Formyl-hydroxy-amino)-heptanoic acid phenylamid...)
Show SMILES ON(CCCCCCC(=O)Nc1ccccc1)C=O
Show InChI InChI=1S/C14H20N2O3/c17-12-16(19)11-7-2-1-6-10-14(18)15-13-8-4-3-5-9-13/h3-5,8-9,12,19H,1-2,6-7,10-11H2,(H,15,18)
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 2 (HDAC2) activity of HeLa nuclear extracts


Bioorg Med Chem Lett 14: 449-53 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.055
BindingDB Entry DOI: 10.7270/Q2HH6JH2
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50138420
PNG
(8-(Formyl-hydroxy-amino)-octanoic acid phenylamide...)
Show SMILES ON(CCCCCCCC(=O)Nc1ccccc1)C=O
Show InChI InChI=1S/C15H22N2O3/c18-13-17(20)12-8-3-1-2-7-11-15(19)16-14-9-5-4-6-10-14/h4-6,9-10,13,20H,1-3,7-8,11-12H2,(H,16,19)
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n/an/a 5.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 6 (HDAC6) of HeLa nuclear extracts


Bioorg Med Chem Lett 14: 449-53 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.055
BindingDB Entry DOI: 10.7270/Q2HH6JH2
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50138423
PNG
(6-(Formyl-hydroxy-amino)-hexanoic acid phenylamide...)
Show SMILES ON(CCCCCC(=O)Nc1ccccc1)C=O
Show InChI InChI=1S/C13H18N2O3/c16-11-15(18)10-6-2-5-9-13(17)14-12-7-3-1-4-8-12/h1,3-4,7-8,11,18H,2,5-6,9-10H2,(H,14,17)
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n/an/a 2.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 6 (HDAC6) of HeLa nuclear extracts


Bioorg Med Chem Lett 14: 449-53 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.055
BindingDB Entry DOI: 10.7270/Q2HH6JH2
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50138423
PNG
(6-(Formyl-hydroxy-amino)-hexanoic acid phenylamide...)
Show SMILES ON(CCCCCC(=O)Nc1ccccc1)C=O
Show InChI InChI=1S/C13H18N2O3/c16-11-15(18)10-6-2-5-9-13(17)14-12-7-3-1-4-8-12/h1,3-4,7-8,11,18H,2,5-6,9-10H2,(H,14,17)
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n/an/a 6.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 8 (HDAC8) of HeLa nuclear extracts


Bioorg Med Chem Lett 14: 449-53 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.055
BindingDB Entry DOI: 10.7270/Q2HH6JH2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50138418
PNG
(8-(Acetyl-hydroxy-amino)-octanoic acid phenylamide...)
Show SMILES CC(=O)N(O)CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C16H24N2O3/c1-14(19)18(21)13-9-4-2-3-8-12-16(20)17-15-10-6-5-7-11-15/h5-7,10-11,21H,2-4,8-9,12-13H2,1H3,(H,17,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 2 (HDAC2) activity of HeLa nuclear extracts


Bioorg Med Chem Lett 14: 449-53 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.055
BindingDB Entry DOI: 10.7270/Q2HH6JH2
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50138418
PNG
(8-(Acetyl-hydroxy-amino)-octanoic acid phenylamide...)
Show SMILES CC(=O)N(O)CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C16H24N2O3/c1-14(19)18(21)13-9-4-2-3-8-12-16(20)17-15-10-6-5-7-11-15/h5-7,10-11,21H,2-4,8-9,12-13H2,1H3,(H,17,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 6 (HDAC6) of HeLa nuclear extracts


Bioorg Med Chem Lett 14: 449-53 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.055
BindingDB Entry DOI: 10.7270/Q2HH6JH2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50138423
PNG
(6-(Formyl-hydroxy-amino)-hexanoic acid phenylamide...)
Show SMILES ON(CCCCCC(=O)Nc1ccccc1)C=O
Show InChI InChI=1S/C13H18N2O3/c16-11-15(18)10-6-2-5-9-13(17)14-12-7-3-1-4-8-12/h1,3-4,7-8,11,18H,2,5-6,9-10H2,(H,14,17)
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n/an/a 1.90E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 2 (HDAC2) activity of HeLa nuclear extracts


Bioorg Med Chem Lett 14: 449-53 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.055
BindingDB Entry DOI: 10.7270/Q2HH6JH2
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50138421
PNG
(7-(Formyl-hydroxy-amino)-heptanoic acid phenylamid...)
Show SMILES ON(CCCCCCC(=O)Nc1ccccc1)C=O
Show InChI InChI=1S/C14H20N2O3/c17-12-16(19)11-7-2-1-6-10-14(18)15-13-8-4-3-5-9-13/h3-5,8-9,12,19H,1-2,6-7,10-11H2,(H,15,18)
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 8 (HDAC8) of HeLa nuclear extracts


Bioorg Med Chem Lett 14: 449-53 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.055
BindingDB Entry DOI: 10.7270/Q2HH6JH2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50314138
PNG
(CHEMBL1092762 | N-Hydroxy-N'-(4-methylphenyl)octan...)
Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1
Show InChI InChI=1S/C13H18N2O3/c1-10-6-8-11(9-7-10)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)
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n/an/a 76n/an/an/an/an/an/a



UMR CNRS 6026-Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay


J Med Chem 53: 1937-50 (2010)


Article DOI: 10.1021/jm901561u
BindingDB Entry DOI: 10.7270/Q2QJ7HFB
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50314138
PNG
(CHEMBL1092762 | N-Hydroxy-N'-(4-methylphenyl)octan...)
Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1
Show InChI InChI=1S/C13H18N2O3/c1-10-6-8-11(9-7-10)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)
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n/an/a 114n/an/an/an/an/an/a



UMR CNRS 6026-Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay


J Med Chem 53: 1937-50 (2010)


Article DOI: 10.1021/jm901561u
BindingDB Entry DOI: 10.7270/Q2QJ7HFB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50355013
PNG
(CHEMBL1835671)
Show SMILES CCC(CCCCC(=O)Nc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C16H24N2O3/c1-2-13(12-16(20)18-21)8-6-7-11-15(19)17-14-9-4-3-5-10-14/h3-5,9-10,13,21H,2,6-8,11-12H2,1H3,(H,17,19)(H,18,20)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 after 30 mins by Fluor de Lys fluorescence assay


Bioorg Med Chem Lett 21: 6139-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.027
BindingDB Entry DOI: 10.7270/Q2X34XVX
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50355013
PNG
(CHEMBL1835671)
Show SMILES CCC(CCCCC(=O)Nc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C16H24N2O3/c1-2-13(12-16(20)18-21)8-6-7-11-15(19)17-14-9-4-3-5-10-14/h3-5,9-10,13,21H,2,6-8,11-12H2,1H3,(H,17,19)(H,18,20)
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n/an/a 9.70E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 after 30 mins by Fluor de Lys fluorescence assay


Bioorg Med Chem Lett 21: 6139-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.027
BindingDB Entry DOI: 10.7270/Q2X34XVX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50355013
PNG
(CHEMBL1835671)
Show SMILES CCC(CCCCC(=O)Nc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C16H24N2O3/c1-2-13(12-16(20)18-21)8-6-7-11-15(19)17-14-9-4-3-5-10-14/h3-5,9-10,13,21H,2,6-8,11-12H2,1H3,(H,17,19)(H,18,20)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 after 30 mins by Fluor de Lys fluorescence assay


Bioorg Med Chem Lett 21: 6139-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.027
BindingDB Entry DOI: 10.7270/Q2X34XVX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50401856
PNG
(CHEMBL2204664)
Show SMILES CC(C)(C)C(CCCCC(=O)NO)CC(=O)Nc1ccccc1
Show InChI InChI=1S/C18H28N2O3/c1-18(2,3)14(9-7-8-12-16(21)20-23)13-17(22)19-15-10-5-4-6-11-15/h4-6,10-11,14,23H,7-9,12-13H2,1-3H3,(H,19,22)(H,20,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 using Fluor-de-Lys as substrate compound pretreated for 30 mins before substrate addition by fluorescence assay


Bioorg Med Chem Lett 22: 7084-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.093
BindingDB Entry DOI: 10.7270/Q2BV7HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50401856
PNG
(CHEMBL2204664)
Show SMILES CC(C)(C)C(CCCCC(=O)NO)CC(=O)Nc1ccccc1
Show InChI InChI=1S/C18H28N2O3/c1-18(2,3)14(9-7-8-12-16(21)20-23)13-17(22)19-15-10-5-4-6-11-15/h4-6,10-11,14,23H,7-9,12-13H2,1-3H3,(H,19,22)(H,20,21)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 using Fluor-de-Lys as substrate compound pretreated for 30 mins before substrate addition by fluorescence assay


Bioorg Med Chem Lett 22: 7084-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.093
BindingDB Entry DOI: 10.7270/Q2BV7HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50138420
PNG
(8-(Formyl-hydroxy-amino)-octanoic acid phenylamide...)
Show SMILES ON(CCCCCCCC(=O)Nc1ccccc1)C=O
Show InChI InChI=1S/C15H22N2O3/c18-13-17(20)12-8-3-1-2-7-11-15(19)16-14-9-5-4-6-10-14/h4-6,9-10,13,20H,1-3,7-8,11-12H2,(H,16,19)
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n/an/a 7.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 2 (HDAC2) activity of HeLa nuclear extracts


Bioorg Med Chem Lett 14: 449-53 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.055
BindingDB Entry DOI: 10.7270/Q2HH6JH2
More data for this
Ligand-Target Pair