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: 14 PDB IDs match this monomer.

  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 2 hits for monomerid = 19130   

TargetHistone deacetylase 8(Homo sapiens (Human))
North Dakota State University

LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
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))
North Dakota State University

LigandPNGBDBM19130((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
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

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