BDBM50082665 4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide::4-Dimethylamino-N-(6-hydroxycarbamoyl-hexyl)-benzamide::CHEMBL140000::US10188756, Compound CN52

SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO

InChI Key InChIKey=MXWDSZWTBOCWBK-UHFFFAOYSA-N

Data  17 IC50

PDB links: 17 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50082665   

TargetLeukotriene A-4 hydrolase(Mouse)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 790nMAssay Description:Inhibition of LTA4H in C57BL/6 mouse assessed as reduction in LTB4 production pre-incubated for 30 mins before 5-(methylamino)-2-({(2R,3R,6S,8S,9R,11...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone deacetylase(Rat)
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 3.51E+3nMAssay Description:Inhibitory activity against rat liver Histone deacetylase with substrate 5bMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase(Rat)
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 78nMAssay Description:Inhibitory activity against rat liver Histone deacetylase with substrate 3aMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase(Rat)
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 148nMAssay Description:Inhibitory activity against rat liver Histone deacetylase with substrate 3bMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 1.62E+3nMAssay Description:Concentration required to inhibit the partially purified HDAC enzyme by 50% obtained from H1299 cell lysateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone deacetylase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 46nMAssay Description:Concentration required to inhibit human Histone deacetylase (HDAC) enzyme by 50%More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone deacetylase 8(Blood fluke)
Washington University

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 3.16E+3nMAssay Description:Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetLeukotriene A-4 hydrolase(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 300nMAssay Description:Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetLeukotriene A-4 hydrolase(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 680nMAssay Description:Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone deacetylase 2b(Maize)
WestfäLische Wilhelms-UniversitäT MüNster

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 100nMAssay Description:Inhibition of maize Histone deacetylase 2 (HD-2) activityMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 3(Human)
The General Hospital

US Patent
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 4.30nMAssay Description:All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetHistone deacetylase 2(Human)
The General Hospital

US Patent
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 20.7nMAssay Description:All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetHistone deacetylase 1(Human)
The General Hospital

US Patent
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 7.30nMAssay Description:All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetHistone deacetylase 1(Rat)
University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 240nMAssay Description:Inhibition of HDAC1 in rat liver extractMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 6(Human)
University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 750nMAssay Description:Inhibition of FLAG-tagged HDAC6 expressed in human 293T cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 1(Human)
The General Hospital

US Patent
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 2.96E+3nMAssay Description:Inhibition of FLAG-tagged HDAC1 expressed in human 293T cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 2b(Maize)
WestfäLische Wilhelms-UniversitäT MüNster

Curated by ChEMBL
LigandPNGBDBM50082665(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Affinity DataIC50: 100nMAssay Description:Inhibitory concentration against maize Histone deacetylase 2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed