BDBM729998 US12263171, Example 140D

SMILES CCn1cc(N2C[C@H](c3nc4c5cccc(OC)c5nc(N)n4n3)CC[C@@H]2C)cn1

InChI Key

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 729998   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 729998BDBM729998(US12263171, Example 140D)
Affinity DataIC50: 5nMAssay Description:148 μL, (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM4001A) and 2 μL compounds of the invention to be tested (test compound) were transferred t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
8/18/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)