BDBM745331 US20250171447, Ex-144

SMILES COc1cccc2c1nc(N)n1nc([C@H]3CC[C@@H](c4ccc(C(C)(C)N)cn4)C3)nc21

InChI Key InChIKey=CFOMISHMTSXQNH-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 = 745331   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM745331(US20250171447, Ex-144)
Affinity DataIC50: 1.40nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
9/23/2025
Entry Details
Go to US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM745331(US20250171447, Ex-144)
Affinity DataIC50: 0.800nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
9/23/2025
Entry Details
Go to US Patent