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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
33
hits in this display
Target
Histone deacetylase 1
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
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Affinity Data
Ki: 7nM
Assay Description:
Inhibition of human HDAC1
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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Target
Histone deacetylase 1
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 7nM ΔG°: -46.1kJ/mole
pH: 7.4 T: 2°C
Assay 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
Target Info
PDB
MMDB
NCI pathway
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KEGG
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Target
Histone deacetylase 3
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 8.20nM
Assay Description:
Inhibition of human HDAC3
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Histone deacetylase 3
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 8.20nM ΔG°: -45.7kJ/mole
pH: 7.4 T: 2°C
Assay 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
Target Info
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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Target
Histone deacetylase 3
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 10nM
Assay Description:
Inhibition of HDAC3 (unknown origin)
More data for this Ligand-Target Pair
Target Info
PDB
NCI pathway
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KEGG
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Target
Histone deacetylase 1
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 10nM
Assay Description:
Inhibition of HDAC1 (unknown origin)
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
UniProtKB/SwissProt
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Target
Histone deacetylase 6
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 17nM
Assay Description:
Inhibition of human HDAC6
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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Target
Histone deacetylase 6
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 17nM ΔG°: -43.9kJ/mole
pH: 7.4 T: 2°C
Assay 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
Target Info
PDB
MMDB
NCI pathway
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KEGG
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Target
Histone deacetylase 2
(Homo sapiens (Human))
Celera Genomics
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
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Affinity Data
Ki: 19nM ΔG°: -43.6kJ/mole
pH: 7.4 T: 2°C
Assay 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
Target Info
PDB
MMDB
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KEGG
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Target
Histone deacetylase 2
(Homo sapiens (Human))
Celera Genomics
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 19nM
Assay Description:
Inhibition of human HDAC2
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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Target
Histone deacetylase 6
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 20nM
Assay Description:
Inhibition of HDAC6 (unknown origin)
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
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KEGG
UniProtKB/SwissProt
B.MOAD
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Target
Polyamine deacetylase HDAC10
(Homo sapiens (Human))
Ghent University
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 20nM
Assay Description:
Inhibition of HDAC10 (unknown origin)
More data for this Ligand-Target Pair
Target Info
NCI pathway
Reactome pathway
KEGG
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Target
Histone deacetylase 2
(Homo sapiens (Human))
Celera Genomics
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 20nM
Assay Description:
Inhibition of HDAC2 (unknown origin)
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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Target
Polyamine deacetylase HDAC10
(Homo sapiens (Human))
Ghent University
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 24nM
Assay Description:
Inhibition of human HDAC10
More data for this Ligand-Target Pair
Target Info
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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Target
Polyamine deacetylase HDAC10
(Homo sapiens (Human))
Ghent University
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 24nM ΔG°: -43.1kJ/mole
pH: 7.4 T: 2°C
Assay 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
Target Info
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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Target
Histone deacetylase 8
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 280nM
Assay Description:
Inhibition of human HDAC8
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Target
Histone deacetylase 8
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 280nM ΔG°: -37.0kJ/mole
pH: 7.4 T: 2°C
Assay 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
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Copy BDB DOI
Target
Histone deacetylase 8
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 280nM
Assay Description:
Inhibition of HDAC8 (unknown origin)
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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MCE
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Polyamine deacetylase HDAC10
(Homo sapiens (Human))
Ghent University
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 4nM
Assay Description:
Inhibition of tubastatin-Alexa647-tracer binding to recombinant GST-tagged HDAC10 (unknown origin) measured after 1 hr by TR-FRET assay
More data for this Ligand-Target Pair
Target Info
NCI pathway
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KEGG
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Target
Polyamine deacetylase HDAC10
(Homo sapiens (Human))
Ghent University
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 7.90nM
Assay 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
Target Info
NCI pathway
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Target
Histone deacetylase 6
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
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Affinity Data
IC50: 12nM
Assay Description:
Inhibition of human HDAC6 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
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Target
Histone deacetylase 11
(Homo sapiens (Human))
University Of East Anglia
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
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Affinity Data
IC50: 14nM
Assay Description:
Inhibition of human HDAC11 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay
More data for this Ligand-Target Pair
Target Info
NCI pathway
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KEGG
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Target
Histone deacetylase 1
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 21nM
Assay Description:
Inhibition of human HDAC1 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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Target
Histone deacetylase 5
(Homo sapiens (Human))
University Of East Anglia
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
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Affinity Data
IC50: 48nM
Assay Description:
Inhibition of human HDAC5 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
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Target
Polyamine deacetylase HDAC10
(Homo sapiens (Human))
Ghent University
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 52nM
Assay Description:
Inhibition of HDAC10 (unknown origin)
More data for this Ligand-Target Pair
Target Info
NCI pathway
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KEGG
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Target
Histone deacetylase 4
(Homo sapiens (Human))
University Of East Anglia
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
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Affinity Data
IC50: 60nM
Assay Description:
Inhibition of human HDAC4 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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Target
Histone deacetylase 2
(Homo sapiens (Human))
Celera Genomics
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 63nM
Assay Description:
Inhibition of human HDAC2 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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Target
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human))
University Of East Anglia
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
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Affinity Data
IC50: 148nM
Assay Description:
Inhibition of human HDAC3/NcoR2 expressed in sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay
More data for this Ligand-Target Pair
Target Info
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Target
Histone deacetylase 9
(Homo sapiens (Human))
University Of East Anglia
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
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Affinity Data
IC50: 168nM
Assay Description:
Inhibition of human HDAC9 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay
More data for this Ligand-Target Pair
Target Info
Reactome pathway
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Target
Histone deacetylase 7
(Homo sapiens (Human))
University Of East Anglia
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
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Affinity Data
IC50: 350nM
Assay Description:
Inhibition of human HDAC7 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
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Target
Histone deacetylase 8
(Homo sapiens (Human))
St. Jude Children'S Research Hospital
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
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Affinity Data
IC50: 370nM
Assay Description:
Inhibition of human HDAC8 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKAcKAc) as substrate by fluorescence-based assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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Target
Leukotriene A-4 hydrolase
(Homo sapiens (Human))
East China University Of Science And Technology
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
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Affinity Data
IC50: >1.00E+4nM
Assay 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
Target Info
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Target
Leukotriene A-4 hydrolase
(Homo sapiens (Human))
East China University Of Science And Technology
Curated by
ChEMBL
Ligand
BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)
Copy SMILES
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Affinity Data
IC50: >1.00E+4nM
Assay Description:
Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...
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