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BDBM24346 N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}phenyl)-N'-hydroxyoctanediamide::Triazole Ligand, 6b

SMILES: ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1

InChI Key: InChIKey=JTDWOKCJBXCOBD-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 24346   
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))
BDBM24346
PNG
(N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)15-29-16-21(26-28-29)18-9-13-20(14-10-18)25-22(30)5-3-1-2-4-6-23(31)27-32/h7-14,16,32H,1-6,15H2,(H,25,30)(H,27,31)
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Article
PubMed
n/an/a 97.8n/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))
BDBM24346
PNG
(N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)15-29-16-21(26-28-29)18-9-13-20(14-10-18)25-22(30)5-3-1-2-4-6-23(31)27-32/h7-14,16,32H,1-6,15H2,(H,25,30)(H,27,31)
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Article
PubMed
n/an/a 294n/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))
BDBM24346
PNG
(N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)15-29-16-21(26-28-29)18-9-13-20(14-10-18)25-22(30)5-3-1-2-4-6-23(31)27-32/h7-14,16,32H,1-6,15H2,(H,25,30)(H,27,31)
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Article
PubMed
n/an/a 13.7n/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
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM24346
PNG
(N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)15-29-16-21(26-28-29)18-9-13-20(14-10-18)25-22(30)5-3-1-2-4-6-23(31)27-32/h7-14,16,32H,1-6,15H2,(H,25,30)(H,27,31)
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n/an/a 98n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111725
More data for this
Ligand-Target Pair
Histone deacetylase 10


(Homo sapiens (Human))
BDBM24346
PNG
(N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)15-29-16-21(26-28-29)18-9-13-20(14-10-18)25-22(30)5-3-1-2-4-6-23(31)27-32/h7-14,16,32H,1-6,15H2,(H,25,30)(H,27,31)
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Article
PubMed
n/an/a 112n/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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM24346
PNG
(N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)15-29-16-21(26-28-29)18-9-13-20(14-10-18)25-22(30)5-3-1-2-4-6-23(31)27-32/h7-14,16,32H,1-6,15H2,(H,25,30)(H,27,31)
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UniChem

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Article
PubMed
n/an/a 1.90n/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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM24346
PNG
(N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)15-29-16-21(26-28-29)18-9-13-20(14-10-18)25-22(30)5-3-1-2-4-6-23(31)27-32/h7-14,16,32H,1-6,15H2,(H,25,30)(H,27,31)
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Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111725
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM24346
PNG
(N-(4-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)15-29-16-21(26-28-29)18-9-13-20(14-10-18)25-22(30)5-3-1-2-4-6-23(31)27-32/h7-14,16,32H,1-6,15H2,(H,25,30)(H,27,31)
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Article
PubMed
n/an/a 797n/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