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4 similar compounds to monomer 50319209

Compile data set for download or QSAR
Wt: 293.3
BDBM50319235
Purchase
Wt: 307.3
BDBM50319236
Wt: 321.3
BDBM50319237
Wt: 372.2
BDBM50319210

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50319235,50319236,50319237,50319210   
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 6


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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7n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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16n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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20n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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23n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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39n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC11


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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40n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC10


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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44n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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46n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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55n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC9


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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252n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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252n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50319237
PNG
(8-(3-Benzoyl-ureido)-octanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C16H23N3O4/c20-14(19-23)11-7-2-1-3-8-12-17-16(22)18-15(21)13-9-5-4-6-10-13/h4-6,9-10,23H,1-3,7-8,11-12H2,(H,19,20)(H2,17,18,21,22)
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n/an/a 97n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50319237
PNG
(8-(3-Benzoyl-ureido)-octanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C16H23N3O4/c20-14(19-23)11-7-2-1-3-8-12-17-16(22)18-15(21)13-9-5-4-6-10-13/h4-6,9-10,23H,1-3,7-8,11-12H2,(H,19,20)(H2,17,18,21,22)
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n/an/a 405n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50319236
PNG
(7-(3-Benzoyl-ureido)-heptanoic acid hydroxyamide |...)
Show SMILES ONC(=O)CCCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H21N3O4/c19-13(18-22)10-6-1-2-7-11-16-15(21)17-14(20)12-8-4-3-5-9-12/h3-5,8-9,22H,1-2,6-7,10-11H2,(H,18,19)(H2,16,17,20,21)
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n/an/a 270n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50319236
PNG
(7-(3-Benzoyl-ureido)-heptanoic acid hydroxyamide |...)
Show SMILES ONC(=O)CCCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H21N3O4/c19-13(18-22)10-6-1-2-7-11-16-15(21)17-14(20)12-8-4-3-5-9-12/h3-5,8-9,22H,1-2,6-7,10-11H2,(H,18,19)(H2,16,17,20,21)
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n/an/a 145n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50319237
PNG
(8-(3-Benzoyl-ureido)-octanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C16H23N3O4/c20-14(19-23)11-7-2-1-3-8-12-17-16(22)18-15(21)13-9-5-4-6-10-13/h4-6,9-10,23H,1-3,7-8,11-12H2,(H,19,20)(H2,17,18,21,22)
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n/an/a 8.28E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50319210
PNG
(6-[3-(3-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-6-4-5-10(9-11)13(20)17-14(21)16-8-3-1-2-7-12(19)18-22/h4-6,9,22H,1-3,7-8H2,(H,18,19)(H2,16,17,20,21)
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n/an/a 60n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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n/an/a 2.21E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50319210
PNG
(6-[3-(3-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-6-4-5-10(9-11)13(20)17-14(21)16-8-3-1-2-7-12(19)18-22/h4-6,9,22H,1-3,7-8H2,(H,18,19)(H2,16,17,20,21)
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n/an/a 3.15E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50319236
PNG
(7-(3-Benzoyl-ureido)-heptanoic acid hydroxyamide |...)
Show SMILES ONC(=O)CCCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H21N3O4/c19-13(18-22)10-6-1-2-7-11-16-15(21)17-14(20)12-8-4-3-5-9-12/h3-5,8-9,22H,1-2,6-7,10-11H2,(H,18,19)(H2,16,17,20,21)
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n/an/a 2.68E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
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Ligand-Target Pair