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BDBM50312628 CHEMBL1094709::Octanedioic Acid Hydroxyamide-[3-(4-Phenyl[1,2,3]triazol-1-yl)phenyl]amide

SMILES: ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1

InChI Key: InChIKey=NEKUMOHJPUSVPP-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 = 50312628   
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))
BDBM50312628
PNG
(CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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PC sid
UniChem
Article
PubMed
n/an/a 4.60n/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 3


(Homo sapiens (Human))
BDBM50312628
PNG
(CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/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 2.80n/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))
BDBM50312628
PNG
(CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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PubMed
n/an/a 4.18E+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 10 (HDAC10)


(Homo sapiens (Human))
BDBM50312628
PNG
(CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/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 6.80n/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))
BDBM50312628
PNG
(CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/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 25.1n/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))
BDBM50312628
PNG
(CHEMBL1094709 | Octanedioic Acid Hydroxyamide-[3-(...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c28-21(13-6-1-2-7-14-22(29)25-30)23-18-11-8-12-19(15-18)27-16-20(24-26-27)17-9-4-3-5-10-17/h3-5,8-12,15-16,30H,1-2,6-7,13-14H2,(H,23,28)(H,25,29)
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PC sid
UniChem
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n/an/a 3.10n/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