BDBM24622 3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-1-benzofuran-2-carboxamide::CRA-024781

SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO

InChI Key InChIKey=MAUCONCHVWBMHK-UHFFFAOYSA-N

Data  18 KI  15 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 24622   

TargetHistone deacetylase 1(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  7nMAssay Description:Inhibition of human HDAC1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  7nM ΔG°:  -11.0kcal/molepH: 7.4 T: 22°CAssay Description:HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  8.20nMAssay Description:Inhibition of human HDAC3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  8.20nM ΔG°:  -10.9kcal/molepH: 7.4 T: 22°CAssay Description:HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  10nMAssay Description:Inhibition of HDAC3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  10nMAssay Description:Inhibition of HDAC1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  17nMAssay Description:Inhibition of human HDAC6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  17nM ΔG°:  -10.5kcal/molepH: 7.4 T: 22°CAssay Description:HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Human)
Celera Genomics

LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  19nM ΔG°:  -10.4kcal/molepH: 7.4 T: 22°CAssay Description:HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Human)
Celera Genomics

LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  19nMAssay Description:Inhibition of human HDAC2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  20nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyamine deacetylase HDAC10(Human)
Ghent University

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  20nMAssay Description:Inhibition of HDAC10 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Human)
Celera Genomics

LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  20nMAssay Description:Inhibition of HDAC2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyamine deacetylase HDAC10(Human)
Ghent University

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  24nMAssay Description:Inhibition of human HDAC10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyamine deacetylase HDAC10(Human)
Ghent University

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  24nM ΔG°:  -10.3kcal/molepH: 7.4 T: 22°CAssay Description:HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  280nMAssay Description:Inhibition of human HDAC8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  280nM ΔG°:  -8.84kcal/molepH: 7.4 T: 22°CAssay Description:HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataKi:  280nMAssay Description:Inhibition of HDAC8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyamine deacetylase HDAC10(Human)
Ghent University

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  52nMAssay Description:Inhibition of HDAC10 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  12nMAssay Description:Inhibition of human HDAC6 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyamine deacetylase HDAC10(Human)
Ghent University

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  4nMAssay Description:Inhibition of tubastatin-Alexa647-tracer binding to recombinant GST-tagged HDAC10 (unknown origin) measured after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyamine deacetylase HDAC10(Human)
Ghent University

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  7.90nMAssay Description:Inhibition of dye-labeled tracer binding to HDAC10 (unknown origin) transfected in human HeLa cells measured after 2 hrs by nano-luciferase reporter ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  21nMAssay Description:Inhibition of human HDAC1 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Human)
Celera Genomics

LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  63nMAssay Description:Inhibition of human HDAC2 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  148nMAssay Description:Inhibition of human HDAC3/NcoR2 expressed in sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  370nMAssay Description:Inhibition of human HDAC8 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKAcKAc) as substrate by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  60nMAssay Description:Inhibition of human HDAC4 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 5(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  48nMAssay Description:Inhibition of human HDAC5 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 7(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  350nMAssay Description:Inhibition of human HDAC7 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 9(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  168nMAssay Description:Inhibition of human HDAC9 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLeukotriene A-4 hydrolase(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50: >1.00E+4nMAssay 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 ArticlePubMed
TargetHistone deacetylase 11(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50:  14nMAssay Description:Inhibition of human HDAC11 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLeukotriene A-4 hydrolase(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Affinity DataIC50: >1.00E+4nMAssay 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 ArticlePubMed