BDBM749883 (1S)-6-ethyl-N-{(1S)-1-[5-(2- fluorophenyl)isoxazol-3-yl]-7- isoxazol-3-yl-7-oxoheptyl}-6- azaspiro[2.5]octane-1- carboxamide::US12331044, Example 175

SMILES CCN1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1cc(-c2ccccc2F)on1

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 5 hits for monomerid = 749883   

TargetHistone deacetylase 3(Human)TBA
LigandPNGBDBM749883((1S)-6-ethyl-N-{(1S)-1-[5-(2- fluorophenyl)isoxazo...)
Affinity DataIC50: 0.110nMAssay 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
US Patent

TargetHistone deacetylase 1(Human)TBA
LigandPNGBDBM749883((1S)-6-ethyl-N-{(1S)-1-[5-(2- fluorophenyl)isoxazo...)
Affinity DataIC50: 0.140nMAssay 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
US Patent

TargetHistone deacetylase 2(Human)TBA
LigandPNGBDBM749883((1S)-6-ethyl-N-{(1S)-1-[5-(2- fluorophenyl)isoxazo...)
Affinity DataIC50: 0.680nMAssay 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
US Patent

TargetHistone deacetylase 8(Human)TBA
LigandPNGBDBM749883((1S)-6-ethyl-N-{(1S)-1-[5-(2- fluorophenyl)isoxazo...)
Affinity DataIC50: 17nMAssay 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
US Patent

TargetHistone deacetylase 6(Human)TBA
LigandPNGBDBM749883((1S)-6-ethyl-N-{(1S)-1-[5-(2- fluorophenyl)isoxazo...)
Affinity DataIC50: 900nMAssay 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
US Patent