BDBM729886 US12263171, Example 46

SMILES COc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4cn(C5CCOCC5)nc4C)C3)nc21

InChI Key InChIKey=KHOHVVUVCWGJLZ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 729886   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM729886(US12263171, Example 46)
Affinity DataIC50: 0.400nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
8/18/2025
Entry Details
Go to US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM729886(US12263171, Example 46)
Affinity DataIC50: 404nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
8/18/2025
Entry Details
Go to US Patent