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BDBM50312631 CHEMBL1091474::Octanedioic Acid-{3-[1-(4-Fluorophenyl)-1H-[1,2,3]triazol-4-yl]phenyl}amide-Hydroxyamide

SMILES: ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(F)cc1

InChI Key: InChIKey=DRTWRJGYTAOGGP-UHFFFAOYSA-N

Data: 6 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50312631   
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))
BDBM50312631
PNG
(CHEMBL1091474 | Octanedioic Acid-{3-[1-(4-Fluoroph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.40n/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))
BDBM50312631
PNG
(CHEMBL1091474 | Octanedioic Acid-{3-[1-(4-Fluoroph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)
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n/an/a 18.1n/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 8


(Homo sapiens (Human))
BDBM50312631
PNG
(CHEMBL1091474 | Octanedioic Acid-{3-[1-(4-Fluoroph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)
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n/an/a 1.20E+4n/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 10 (HDAC10)


(Homo sapiens (Human))
BDBM50312631
PNG
(CHEMBL1091474 | Octanedioic Acid-{3-[1-(4-Fluoroph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)
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n/an/a 32.8n/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 2


(Homo sapiens (Human))
BDBM50312631
PNG
(CHEMBL1091474 | Octanedioic Acid-{3-[1-(4-Fluoroph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)
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n/an/a 60n/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 1


(Homo sapiens (Human))
BDBM50312631
PNG
(CHEMBL1091474 | Octanedioic Acid-{3-[1-(4-Fluoroph...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN5O3/c23-17-10-12-19(13-11-17)28-15-20(25-27-28)16-6-5-7-18(14-16)24-21(29)8-3-1-2-4-9-22(30)26-31/h5-7,10-15,31H,1-4,8-9H2,(H,24,29)(H,26,30)
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n/an/a 31.9n/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