BDBM19130 (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide::CHEMBL99::TSA::Trichostatin A (TSA)

SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C

InChI Key InChIKey=ALCVRKZFLFWUAZ-UHFFFAOYSA-N

Data  9 KI  174 IC50  2 Kd  4 EC50  1 ITC

PDB links: 15 PDB IDs match this monomer.

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 189 hits for monomerid = 19130   

TargetHistone deacetylase 6(Homo sapiens (Human))
The Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataKi:  0.130nMAssay Description:Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3...More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataKi:  0.230nMAssay Description:Inhibition of recombinant HDAC1More data for this Ligand-Target Pair
TargetHistone deacetylase 3/Nuclear receptor corepressor 2(Homo sapiens (Human))
The Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataKi:  0.260nMAssay Description:Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3...More data for this Ligand-Target Pair
TargetHistone deacetylase 3(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataKi:  0.580nMAssay Description:Inhibition of recombinant HDAC3More data for this Ligand-Target Pair
TargetHistone deacetylase 2(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataKi:  0.760nMAssay Description:Inhibition of recombinant HDAC2More data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))
The Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataKi:  0.990nMAssay Description:Inhibition of recombinant HDAC6More data for this Ligand-Target Pair
TargetPolyamine deacetylase HDAC10(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataKi:  7nMAssay Description:Inhibition of HDAC10More data for this Ligand-Target Pair
TargetHistone deacetylase 8(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataKi:  130nMAssay Description:Inhibition of recombinant HDAC8More data for this Ligand-Target Pair
TargetHistone deacetylase-like amidohydrolase(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
University of G£ttingen

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataKi:  700nMAssay Description:Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropyMore data for this Ligand-Target Pair
TargetHistone deacetylase 6(Mus musculus)
Nagoya City University

LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 81nMpH: 8.0 T: 2°CAssay Description:The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 21nMpH: 8.0 T: 2°CAssay Description:The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...More data for this Ligand-Target Pair
TargetHistone deacetylase 4(Homo sapiens (Human))
Nagoya City University

LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 34nMAssay Description:The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 19nMpH: 8.0 T: 2°CAssay Description:For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...More data for this Ligand-Target Pair
TargetHistone deacetylase 4(Homo sapiens (Human))
Nagoya City University

LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 20nMpH: 8.0 T: 2°CAssay Description:For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...More data for this Ligand-Target Pair
TargetHistone deacetylase 6(Mus musculus)
Nagoya City University

LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 28nMpH: 8.0 T: 2°CAssay Description:For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 4nMpH: 7.5 T: 2°CAssay Description:The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...More data for this Ligand-Target Pair
TargetHistone deacetylase 2(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 14nMpH: 7.5 T: 2°CAssay Description:The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...More data for this Ligand-Target Pair
TargetHistone deacetylase 3(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 2nMAssay Description:The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...More data for this Ligand-Target Pair
TargetHistone deacetylase 8(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 1.38E+3nMAssay Description:The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...More data for this Ligand-Target Pair
TargetPolyamine deacetylase HDAC10(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 5nMAssay Description:The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...More data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))
The Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 1nMAssay Description:The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 4E(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 2.80E+4nMpH: 7.5 T: 2°CAssay Description:For compounds which were shown to inhibit FDH, a MALDI-TOF-MS inhibition assay was employed. After incubation, the diluted assay mixture was then mix...More data for this Ligand-Target Pair
TargetHistone deacetylase(Plasmodium falciparum (isolate 3D7))
Harvard Medical School

LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 0.600nMpH: 7.5 T: 2°CAssay Description:Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...More data for this Ligand-Target Pair
TargetHistone deacetylase 8(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataKd:  490nMAssay Description:To determine the dissociation rate of the inhibitor, 1 µM HDAC8 and 20 µM inhibitor (syringe I) were mixed with 100 µM c-SAHA (syringe...More data for this Ligand-Target Pair
TargetHistone deacetylase 8(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataKd:  390nMpH: 7.5Assay Description:A fixed concentration of 1.5 µM was titrated with an increasing concentration of the respective inhibitor in protein storage buffer containing 5...More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 5nMAssay Description:In vitro inhibition of partially purified recombinant human Histone deacetylase 1More data for this Ligand-Target Pair
TargetHistone deacetylase 5(Homo sapiens (Human))
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 8.10nMAssay Description:Inhibition of human recombinant HDAC5 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 minsMore data for this Ligand-Target Pair
TargetHistone deacetylase 6(Mus musculus)
Nagoya City University

LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of mouse HDAC6 expressed in 293T cellsMore data for this Ligand-Target Pair
TargetHistone deacetylase 2b(Zea mays)
Westfälische Wilhelms-Universität Münster

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 3nMAssay Description:Inhibition of maize Histone deacetylase 2 (HD-2) activityMore data for this Ligand-Target Pair
TargetHistone deacetylase 5(Homo sapiens (Human))
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 16nMAssay Description:Inhibition of human HDAC5More data for this Ligand-Target Pair
TargetHistone deacetylase 5(Homo sapiens (Human))
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 6nMAssay Description:Inhibition of HDAC5 by in vitro deacetylation assayMore data for this Ligand-Target Pair
TargetHistone deacetylase 5(Homo sapiens (Human))
University of Illinois at Chicago

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 16nMAssay Description:Inhibition of human HDAC5 by fluorimetric assayMore data for this Ligand-Target Pair
TargetHistone deacetylase 2b(Zea mays)
Westfälische Wilhelms-Universität Münster

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 7.20nMAssay Description:Inhibitory concentration against histone deacetylase activityMore data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 5nMAssay Description:Inhibition against partially purified human histone deacetylase 1 (HDAC-1)More data for this Ligand-Target Pair
TargetHistone deacetylase 2b(Zea mays)
Westfälische Wilhelms-Universität Münster

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 7nMAssay Description:In vitro for anti-HD2 (Histone deacetylase 2) activity in maizeMore data for this Ligand-Target Pair
TargetHistone deacetylase 1(Mus musculus (Mouse))
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 2nMAssay Description:In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cellsMore data for this Ligand-Target Pair
TargetHistone deacetylase 2b(Zea mays)
Westfälische Wilhelms-Universität Münster

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 3nMAssay Description:Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparationMore data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)More data for this Ligand-Target Pair
TargetHistone deacetylase 2b(Zea mays)
Westfälische Wilhelms-Universität Münster

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 7.20nMAssay Description:Inhibition of maize histone deacetylase 2More data for this Ligand-Target Pair
TargetHistone deacetylase 2b(Zea mays)
Westfälische Wilhelms-Universität Münster

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 7.20nMAssay Description:Concentration required for inhibition of histone deacetylase HD2 in vitro.Checked by AuthorMore data for this Ligand-Target Pair
TargetHistone deacetylase 2(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 39nMAssay Description:Inhibitory concentrationagainst histone deacetylase 2More data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))
The Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 91nMAssay Description:Inhibitory concentration against histone deacetylase 6More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 20nMAssay Description:Inhibitory concentration against histone deacetylase 1More data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))
The Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 81nMAssay Description:Inhibition of HDAC6More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 21nMAssay Description:Inhibition of HDAC1More data for this Ligand-Target Pair
TargetHistone deacetylase 4(Homo sapiens (Human))
Nagoya City University

LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 34nMAssay Description:Inhibition of HDAC4More data for this Ligand-Target Pair
TargetHistone deacetylase(Zea mays)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of maize HD1BMore data for this Ligand-Target Pair
TargetHistone deacetylase 1(Mus musculus (Mouse))
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of mouse HDAC1More data for this Ligand-Target Pair
TargetHistone deacetylase 2b(Zea mays)
Westfälische Wilhelms-Universität Münster

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 7nMAssay Description:Inhibition of maize HD2More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
Universit£ de Poitiers

Curated by ChEMBL
LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
Affinity DataIC50: 26nMAssay Description:Inhibition of HDAC1More data for this Ligand-Target Pair
Displayed 1 to 50 (of 189 total ) | Next | Last >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 19130   

CellHistone deacetylase 1/3/5/8(Homo sapiens (Human))
North Dakota State University

SyringePNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
ITC DataΔG°: -8.60kcal/mole −TΔS°: 0.214kcal/mole ΔH°: -8.84kcal/mole logk: 2.03E+6
T: 25.00°C