BDBM749786 (S)-6-(2-(1-(ethylamino)-7-(oxazol-2-yl)-7-oxoheptyl)-1H-imidazol-5-yl)-7-methoxy-1-methylquinolin-2(1H)-one::US12331044, Example 77

SMILES CCN[C@@H](CCCCCC(=O)c1ncco1)c1ncc(-c2cc3ccc(=O)n(C)c3cc2OC)[nH]1

InChI Key InChIKey=XMBHMWGTUZVLAL-UHFFFAOYSA-N

Data  5 IC50

  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 = 749786   

TargetHistone deacetylase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749786((S)-6-(2-(1-(ethylamino)-7-(oxazol-2-yl)-7-oxohept...)
Affinity DataIC50: 1.30nMAssay 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
Go to US Patent

TargetHistone deacetylase 3(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749786((S)-6-(2-(1-(ethylamino)-7-(oxazol-2-yl)-7-oxohept...)
Affinity DataIC50: 1.70nMAssay 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
Go to US Patent

TargetHistone deacetylase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749786((S)-6-(2-(1-(ethylamino)-7-(oxazol-2-yl)-7-oxohept...)
Affinity DataIC50: 3.70nMAssay 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
Go to US Patent

TargetHistone deacetylase 8(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749786((S)-6-(2-(1-(ethylamino)-7-(oxazol-2-yl)-7-oxohept...)
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:
10/9/2025
Entry Details
Go to US Patent

TargetHistone deacetylase 6(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749786((S)-6-(2-(1-(ethylamino)-7-(oxazol-2-yl)-7-oxohept...)
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:
10/9/2025
Entry Details
Go to US Patent