null

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

InChI Key InChIKey=MAUCONCHVWBMHK-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 24622   

TargetHistone deacetylase 1(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  7nMAssay Description:Inhibition of human HDAC1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B859V9PubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  7nM ΔG°:  -11.0kcal/molepH: 7.4 T: 2°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 Article
BindingDB Entry DOI: 10.7270/Q2DF6PJJPubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  8.20nMAssay Description:Inhibition of human HDAC3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B859V9PubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  8.20nM ΔG°:  -10.9kcal/molepH: 7.4 T: 2°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 Article
BindingDB Entry DOI: 10.7270/Q2DF6PJJPubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  10nMAssay Description:Inhibition of HDAC3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G44SQSPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  10nMAssay Description:Inhibition of HDAC1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G44SQSPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  17nMAssay Description:Inhibition of human HDAC6More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B859V9PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  17nM ΔG°:  -10.5kcal/molepH: 7.4 T: 2°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 Article
BindingDB Entry DOI: 10.7270/Q2DF6PJJPubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Celera Genomics

LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  19nM ΔG°:  -10.4kcal/molepH: 7.4 T: 2°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 Article
BindingDB Entry DOI: 10.7270/Q2DF6PJJPubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Celera Genomics

LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  19nMAssay Description:Inhibition of human HDAC2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B859V9PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  20nMAssay Description:Inhibition of recombinant human HDAC6 using Boc-Lys(acetyl)-AMC as substrate after 1 hr by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G44SQSPubMed
TargetPolyamine deacetylase HDAC10(Homo sapiens (Human))
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  20nMAssay Description:Inhibition of N-terminal GST-tagged human HDAC10 (1 to 631 residues) expressed in baculovirus expression system in Sf9 cells RHKAcKAc after 2 hrs by ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G44SQSPubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Celera Genomics

LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  20nMAssay Description:Inhibition of HDAC2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G44SQSPubMed
TargetPolyamine deacetylase HDAC10(Homo sapiens (Human))
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  24nMAssay Description:Inhibition of human HDAC10More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B859V9PubMed
TargetPolyamine deacetylase HDAC10(Homo sapiens (Human))
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  24nM ΔG°:  -10.3kcal/molepH: 7.4 T: 2°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 Article
BindingDB Entry DOI: 10.7270/Q2DF6PJJPubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  280nMAssay Description:Inhibition of human HDAC8More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B859V9PubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  280nM ΔG°:  -8.84kcal/molepH: 7.4 T: 2°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 Article
BindingDB Entry DOI: 10.7270/Q2DF6PJJPubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataKi:  280nMAssay Description:Inhibition of full length human HDAC8 expressed in an E. coli expression system using AMC-labeled RHKAcKAc as substrate after 2 hrs by fluorescence a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G44SQSPubMed
TargetPolyamine deacetylase HDAC10(Homo sapiens (Human))
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
Affinity DataIC50: 52nMAssay Description:Inhibition of HDAC10 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76H9KPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2F76H9KPubMed
TargetPolyamine deacetylase HDAC10(Homo sapiens (Human))
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26H4MTCPubMed
TargetPolyamine deacetylase HDAC10(Homo sapiens (Human))
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26H4MTCPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2F76H9KPubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
Celera Genomics

LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2F76H9KPubMed
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2F76H9KPubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
St Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2F76H9KPubMed
TargetHistone deacetylase 4(Homo sapiens (Human))TBA
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2F76H9KPubMed
TargetHistone deacetylase 5(Homo sapiens (Human))TBA
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2F76H9KPubMed
TargetHistone deacetylase 7(Homo sapiens (Human))TBA
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2F76H9KPubMed
TargetHistone deacetylase 9(Homo sapiens (Human))TBA
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2F76H9KPubMed
TargetLeukotriene A-4 hydrolase(Homo sapiens (Human))
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2VM4FJNPubMed
TargetHistone deacetylase 11(Homo sapiens (Human))TBA
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2F76H9KPubMed
TargetLeukotriene A-4 hydrolase(Homo sapiens (Human))
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM24622(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2VM4FJNPubMed