BDBM729899 US12263171, Example 58A

SMILES COc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4cnn(C5CCC[C@@H]5O)c4)C3)nc21

InChI Key InChIKey=LWQCGQDPGMKPQO-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 = 729899   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM729899(US12263171, Example 58A)
Affinity DataIC50: 0.200nMMore 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
LigandPNGBDBM729899(US12263171, Example 58A)
Affinity DataIC50: 64.9nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
8/18/2025
Entry Details
Go to US Patent