BDBM771312 US12414952, Example 17.8-1

SMILES Cc1c(-c2ncco2)nc(N)n2nc(CCN3Cc4nnn(C(C)C)c4C(C)C3)nc12

InChI Key InChIKey=ACCJTVCLBCXQSL-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 = 771312   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 771312BDBM771312(US12414952, Example 17.8-1)
Affinity DataIC50: 0.700nMMore 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 771312BDBM771312(US12414952, Example 17.8-1)
Affinity DataIC50: 1.68E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
12/28/2025
Entry Details
US Patent