BDBM749802 US12331044, Example 93

SMILES COc1cc2c(ccc(=O)n2C)cc1-c1cnc([C@H](CCCCCC(=O)c2ccon2)NC(=O)CN(C)C)[nH]1

InChI Key InChIKey=TUMLTUXMYBNUKT-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 = 749802   

TargetHistone deacetylase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM749802(US12331044, Example 93)
Affinity DataIC50: 0.370nMMore 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
LigandPNGBDBM749802(US12331044, Example 93)
Affinity DataIC50: 0.460nMMore 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
LigandPNGBDBM749802(US12331044, Example 93)
Affinity DataIC50: 2.20nMMore 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
LigandPNGBDBM749802(US12331044, Example 93)
Affinity DataIC50: 3.5nMMore 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
LigandPNGBDBM749802(US12331044, Example 93)
Affinity DataIC50: 4.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/9/2025
Entry Details
Go to US Patent