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Compile Data Set for Download or QSAR

Found 107 hits Enz. Inhib. hit(s) with all data for entry = 50031787   
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 9


(Homo sapiens (Human))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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6n/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 4


(Homo sapiens (Human))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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6n/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 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))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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8n/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 6


(Homo sapiens (Human))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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8n/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 3


(Homo sapiens (Human))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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8n/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 10 (HDAC10)


(Homo sapiens (Human))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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9n/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 11


(Homo sapiens (Human))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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9n/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 2


(Homo sapiens (Human))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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12n/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))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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13n/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 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))
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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16n/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 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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18n/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 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 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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29n/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 6


(Homo sapiens (Human))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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31n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


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))
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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33n/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 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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36n/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 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))
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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40n/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 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 10 (HDAC10)


(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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50n/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 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 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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63n/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 9


(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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65n/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 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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126n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


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))
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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205n/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
3D
3D Structure (crystal)
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 8


(Homo sapiens (Human))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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315n/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))
BDBM50319216
PNG
(6-[3-(Naphthalene-2-carbonyl)-ureido]-hexanoic aci...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21N3O4/c22-16(21-25)8-2-1-5-11-19-18(24)20-17(23)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,25H,1-2,5,8,11H2,(H,21,22)(H2,19,20,23,24)
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n/an/a 6n/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))
BDBM50319211
PNG
(6-[3-(4-Iodo-benzoyl)-ureido]-hexanoic acid hydrox...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(I)cc1
Show InChI InChI=1S/C14H18IN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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n/an/a 8n/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))
BDBM50319220
PNG
(6-[3-(3-amino-4-chloro-benzoyl)-ureido]-hexanoic a...)
Show SMILES Nc1cc(ccc1Cl)C(=O)NC(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C14H19ClN4O4/c15-10-6-5-9(8-11(10)16)13(21)18-14(22)17-7-3-1-2-4-12(20)19-23/h5-6,8,23H,1-4,7,16H2,(H,19,20)(H2,17,18,21,22)
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n/an/a 11n/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))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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n/an/a 13n/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))
BDBM50319231
PNG
(6-{3-[1-(3-Dimethylamino-2,2-dimethyl-propyl)-1H-b...)
Show SMILES CN(C)CC(C)(C)Cn1cnc2cc(ccc12)C(=O)NC(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C22H34N6O4/c1-22(2,13-27(3)4)14-28-15-24-17-12-16(9-10-18(17)28)20(30)25-21(31)23-11-7-5-6-8-19(29)26-32/h9-10,12,15,32H,5-8,11,13-14H2,1-4H3,(H,26,29)(H2,23,25,30,31)
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n/an/a 20n/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))
BDBM50319228
PNG
(6-{3-[1-(3-Phenyl-propyl)-1H-benzimidazole-5-carbo...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2n(CCCc3ccccc3)cnc2c1
Show InChI InChI=1S/C24H29N5O4/c30-22(28-33)11-5-2-6-14-25-24(32)27-23(31)19-12-13-21-20(16-19)26-17-29(21)15-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,12-13,16-17,33H,2,5-7,10-11,14-15H2,(H,28,30)(H2,25,27,31,32)
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n/an/a 20n/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))
BDBM50319221
PNG
(6-[3-(3-Nitro-4-pyrrolidin-1-yl-benzoyl)-ureido]-h...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H25N5O6/c24-16(21-27)6-2-1-3-9-19-18(26)20-17(25)13-7-8-14(15(12-13)23(28)29)22-10-4-5-11-22/h7-8,12,27H,1-6,9-11H2,(H,21,24)(H2,19,20,25,26)
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n/an/a 20n/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))
BDBM50319226
PNG
(6-{3-[4-(2-Diethylamino-ethylamino)-3-nitro-benzoy...)
Show SMILES CCN(CC)CCNc1ccc(cc1[N+]([O-])=O)C(=O)NC(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C20H32N6O6/c1-3-25(4-2)13-12-21-16-10-9-15(14-17(16)26(31)32)19(28)23-20(29)22-11-7-5-6-8-18(27)24-30/h9-10,14,21,30H,3-8,11-13H2,1-2H3,(H,24,27)(H2,22,23,28,29)
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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))
BDBM50319230
PNG
(6-{3-[1-(2-Diethylamino-ethyl)-1H-benzimidazole-5-...)
Show SMILES CCN(CC)CCn1cnc2cc(ccc12)C(=O)NC(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C21H32N6O4/c1-3-26(4-2)12-13-27-15-23-17-14-16(9-10-18(17)27)20(29)24-21(30)22-11-7-5-6-8-19(28)25-31/h9-10,14-15,31H,3-8,11-13H2,1-2H3,(H,25,28)(H2,22,24,29,30)
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n/an/a 21n/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))
BDBM50319225
PNG
(6-{3-[3-nitro-4-(2-pyrrolidin-1-yl-ethylamino)-ben...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(NCCN2CCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H30N6O6/c27-18(24-30)6-2-1-3-9-22-20(29)23-19(28)15-7-8-16(17(14-15)26(31)32)21-10-13-25-11-4-5-12-25/h7-8,14,21,30H,1-6,9-13H2,(H,24,27)(H2,22,23,28,29)
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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))
BDBM50319233
PNG
(6-{3-[2-Butyl-1-(2-pyrrolidin-1-yl-ethyl)-1H-benzi...)
Show SMILES CCCCc1nc2cc(ccc2n1CCN1CCCC1)C(=O)NC(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C25H38N6O4/c1-2-3-9-22-27-20-18-19(11-12-21(20)31(22)17-16-30-14-7-8-15-30)24(33)28-25(34)26-13-6-4-5-10-23(32)29-35/h11-12,18,35H,2-10,13-17H2,1H3,(H,29,32)(H2,26,28,33,34)
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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))
BDBM50319212
PNG
(6-[3-(4-tert-Butyl-benzoyl)-ureido]-hexanoic acid ...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-18(2,3)14-10-8-13(9-11-14)16(23)20-17(24)19-12-6-4-5-7-15(22)21-25/h8-11,25H,4-7,12H2,1-3H3,(H,21,22)(H2,19,20,23,24)
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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))
BDBM50319227
PNG
(6-[3-(1-Phenethyl-1H-benzimidazole-5-carbonyl)-ure...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2n(CCc3ccccc3)cnc2c1
Show InChI InChI=1S/C23H27N5O4/c29-21(27-32)9-5-2-6-13-24-23(31)26-22(30)18-10-11-20-19(15-18)25-16-28(20)14-12-17-7-3-1-4-8-17/h1,3-4,7-8,10-11,15-16,32H,2,5-6,9,12-14H2,(H,27,29)(H2,24,26,30,31)
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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))
BDBM50319219
PNG
(6-[3-(4-pyrimidin-5-yl-benzoyl)-ureido]-hexanoic a...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(cc1)-c1cncnc1
Show InChI InChI=1S/C18H21N5O4/c24-16(23-27)4-2-1-3-9-21-18(26)22-17(25)14-7-5-13(6-8-14)15-10-19-12-20-11-15/h5-8,10-12,27H,1-4,9H2,(H,23,24)(H2,21,22,25,26)
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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))
BDBM50319208
PNG
(6-[3-(4-Chloro-benzoyl)-ureido]-hexanoic acid hydr...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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n/an/a 26n/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))
BDBM50319232
PNG
(6-{3-[2-phenethyl-1-(2-pyrrolidin-1-yl-ethyl)-1H-b...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C29H38N6O4/c36-27(33-39)11-5-2-6-16-30-29(38)32-28(37)23-13-14-25-24(21-23)31-26(15-12-22-9-3-1-4-10-22)35(25)20-19-34-17-7-8-18-34/h1,3-4,9-10,13-14,21,39H,2,5-8,11-12,15-20H2,(H,33,36)(H2,30,32,37,38)
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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))
BDBM50319223
PNG
(6-{3-[4-(4-Methyl-piperazin-1-yl)-3-nitro-benzoyl]...)
Show SMILES CN1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(=O)NC(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C19H28N6O6/c1-23-9-11-24(12-10-23)15-7-6-14(13-16(15)25(30)31)18(27)21-19(28)20-8-4-2-3-5-17(26)22-29/h6-7,13,29H,2-5,8-12H2,1H3,(H,22,26)(H2,20,21,27,28)
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n/an/a 43n/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
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