BDBM749821 (S)-N-((S)-1-(4-chloro-2-(2-fluorophenyl)-1H-imidazol-5-yl)-7-(isoxazol-3-yl)-7-oxoheptyl)-6-methyl-6-azaspiro[2.5]octane-1-carboxamide::US12331044, Example 112

SMILES CN1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1[nH]c(-c2ccccc2F)nc1Cl

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 = 749821   

TargetHistone deacetylase 3(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749821((S)-N-((S)-1-(4-chloro-2-(2-fluorophenyl)-1H-imida...)
Affinity DataIC50: 0.0350nMAssay 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:
10/9/2025
Entry Details
US Patent

TargetHistone deacetylase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749821((S)-N-((S)-1-(4-chloro-2-(2-fluorophenyl)-1H-imida...)
Affinity DataIC50: 0.0830nMAssay 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:
10/9/2025
Entry Details
US Patent

TargetHistone deacetylase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749821((S)-N-((S)-1-(4-chloro-2-(2-fluorophenyl)-1H-imida...)
Affinity DataIC50: 0.25nMAssay 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:
10/9/2025
Entry Details
US Patent

TargetHistone deacetylase 8(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749821((S)-N-((S)-1-(4-chloro-2-(2-fluorophenyl)-1H-imida...)
Affinity DataIC50: 23nMAssay 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:
10/9/2025
Entry Details
US Patent

TargetHistone deacetylase 6(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749821((S)-N-((S)-1-(4-chloro-2-(2-fluorophenyl)-1H-imida...)
Affinity DataIC50: 4.60E+3nMAssay 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:
10/9/2025
Entry Details
US Patent