BDBM730113 US12263171, Example 224

SMILES COc1ccc(F)c2c1nc(N)n1nc([C@@H]3CC[C@H](C)N(c4cnn(CC(C)(C)O)c4)C3)nc21

InChI Key InChIKey=CTIGWQKNKGBRJM-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 = 730113   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM730113(US12263171, Example 224)
Affinity DataIC50: 0.300nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
8/18/2025
Entry Details
Go to US Patent