BDBM749803 (S)-2-(dimethylamino)-N-(1-(5-(2-ethyl-7-methoxy-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl)-7-(isoxazol-3-yl)-7-oxoheptyl)acetamide::US12331044, Example 94

SMILES CCn1ccc2c(c1=O)=CC(OC)C(C1=CNC([C@H](CCCCCC(=O)c3ccon3)NC(=O)CN(C)C)N1)C=2

InChI Key

  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 5 hits for monomerid = 749803   

TargetHistone deacetylase 3(Human)TBA
LigandPNGBDBM749803((S)-2-(dimethylamino)-N-(1-(5-(2-ethyl-7-methoxy-1...)
Affinity DataIC50: 0.240nMAssay Description:The HDAC 1, 2 assays employed buffer A, which contained 20 mM HEPES, pH 8.0, 1 mM MgCl2, 137 mM NaCl, 2.7 mM KCl, 0.05% BSA. The HDAC3/SMRT assay emp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
TargetHistone deacetylase 1(Human)TBA
LigandPNGBDBM749803((S)-2-(dimethylamino)-N-(1-(5-(2-ethyl-7-methoxy-1...)
Affinity DataIC50: 0.260nMAssay Description:The HDAC 1, 2 assays employed buffer A, which contained 20 mM HEPES, pH 8.0, 1 mM MgCl2, 137 mM NaCl, 2.7 mM KCl, 0.05% BSA. The HDAC3/SMRT assay emp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
TargetHistone deacetylase 2(Human)TBA
LigandPNGBDBM749803((S)-2-(dimethylamino)-N-(1-(5-(2-ethyl-7-methoxy-1...)
Affinity DataIC50: 1nMAssay Description:The HDAC 1, 2 assays employed buffer A, which contained 20 mM HEPES, pH 8.0, 1 mM MgCl2, 137 mM NaCl, 2.7 mM KCl, 0.05% BSA. The HDAC3/SMRT assay emp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
TargetHistone deacetylase 8(Human)TBA
LigandPNGBDBM749803((S)-2-(dimethylamino)-N-(1-(5-(2-ethyl-7-methoxy-1...)
Affinity DataIC50: 5.20nMAssay Description:The HDAC 1, 2 assays employed buffer A, which contained 20 mM HEPES, pH 8.0, 1 mM MgCl2, 137 mM NaCl, 2.7 mM KCl, 0.05% BSA. The HDAC3/SMRT assay emp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
TargetHistone deacetylase 6(Human)TBA
LigandPNGBDBM749803((S)-2-(dimethylamino)-N-(1-(5-(2-ethyl-7-methoxy-1...)
Affinity DataIC50: 2.00E+4nMAssay Description:The HDAC 1, 2 assays employed buffer A, which contained 20 mM HEPES, pH 8.0, 1 mM MgCl2, 137 mM NaCl, 2.7 mM KCl, 0.05% BSA. The HDAC3/SMRT assay emp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details