BDBM749812 (S)-N-(7-(isoxazol-3-yl)-1-(5-(7-methoxy-2-methylquinolin-6-yl)-1H-imidazol-2-yl)-7-oxoheptyl)-1-methylazetidine-3-carboxamide::US12331044, Example 103

SMILES COc1cc2nc(C)ccc2cc1-c1cnc([C@H](CCCCCC(=O)c2ccon2)NC(=O)C2CN(C)C2)[nH]1

InChI Key InChIKey=JMHJAMQXSRNSJH-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 = 749812   

TargetHistone deacetylase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749812((S)-N-(7-(isoxazol-3-yl)-1-(5-(7-methoxy-2-methylq...)
Affinity DataIC50: 0.130nMMore 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
LigandPNGBDBM749812((S)-N-(7-(isoxazol-3-yl)-1-(5-(7-methoxy-2-methylq...)
Affinity DataIC50: 0.180nMMore 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
LigandPNGBDBM749812((S)-N-(7-(isoxazol-3-yl)-1-(5-(7-methoxy-2-methylq...)
Affinity DataIC50: 0.440nMMore 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
LigandPNGBDBM749812((S)-N-(7-(isoxazol-3-yl)-1-(5-(7-methoxy-2-methylq...)
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
LigandPNGBDBM749812((S)-N-(7-(isoxazol-3-yl)-1-(5-(7-methoxy-2-methylq...)
Affinity DataIC50: 900nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/9/2025
Entry Details
Go to US Patent