BDBM749895 (S)-N-((S)-1-(4-cyano-2-(4- fluorophenyl)-1H-imidazol-5- yl)-7-(oxazol-2-yl)-7- oxoheptyl)-6-methyl-6- azaspiro[2.5]octane-1- carboxamide::US12331044, Example 187

SMILES CN1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)c1ncco1)c1[nH]c(-c2ccc(F)cc2)nc1C#N

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 = 749895   

TargetHistone deacetylase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749895((S)-N-((S)-1-(4-cyano-2-(4- fluorophenyl)-1H-imida...)
Affinity DataIC50: 0.160nMAssay 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 3(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749895((S)-N-((S)-1-(4-cyano-2-(4- fluorophenyl)-1H-imida...)
Affinity DataIC50: 0.160nMAssay 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
LigandPNGBDBM749895((S)-N-((S)-1-(4-cyano-2-(4- fluorophenyl)-1H-imida...)
Affinity DataIC50: 0.830nMAssay 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
LigandPNGBDBM749895((S)-N-((S)-1-(4-cyano-2-(4- fluorophenyl)-1H-imida...)
Affinity DataIC50: 170nMAssay 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
LigandPNGBDBM749895((S)-N-((S)-1-(4-cyano-2-(4- fluorophenyl)-1H-imida...)
Affinity DataIC50: 4.50E+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:
10/9/2025
Entry Details
US Patent