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BDBM24351 N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)phenyl]octanediamide::Triazole Ligand, 10c

SMILES: ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1

InChI Key: InChIKey=ABWVQTTWUXBWDD-UHFFFAOYSA-N

Data: 12 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 24351   
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 1


(Homo sapiens (Human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 18n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 63.9n/an/an/an/a7.525



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 7.20n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 2.78E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 27.7n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 2.78E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 9.60n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 7.20n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 27.7n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 18n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 63.9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs


J Med Chem 53: 1347-56 (2010)


Article DOI: 10.1021/jm901667k
BindingDB Entry DOI: 10.7270/Q29S1R52
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM24351
PNG
(N-hydroxy-N'-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)ph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-10-8-9-17(15-18)20-16-27(26-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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n/an/a 9.60n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...


J Med Chem 51: 3437-48 (2008)


Article DOI: 10.1021/jm701606b
BindingDB Entry DOI: 10.7270/Q2ZC815S
More data for this
Ligand-Target Pair