BDBM771317 US12414952, Example 17.12

SMILES Cc1c(-c2ncco2)nc(N)n2nc(CCN3CCc4c(cnn4C4CCCC4)C3)nc12

InChI Key InChIKey=YXFMNYLAPYAOFN-UHFFFAOYSA-N

  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 = 771317   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 771317BDBM771317(US12414952, Example 17.12)
Affinity DataIC50: 1.20nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
12/28/2025
Entry Details
US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 771317BDBM771317(US12414952, Example 17.12)
Affinity DataIC50: 45nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
12/28/2025
Entry Details
US Patent