BDBM730093 US12263171, Example 213

SMILES COc1ccc2c(c1)nc(N)n1nc([C@@H]3CC[C@H](C)N(c4cn(CC(C)(C)O)nc4C)C3)nc21

InChI Key InChIKey=YSLUWRRHWPTCJF-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 730093   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM730093(US12263171, Example 213)
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