BDBM471680 US10822338, Example 52

SMILES COc1cccc2c3nc(nn3c(N)nc12)[C@@H]1CCCN(C1)C1CC1

InChI Key InChIKey=PEINOCZPDAATCW-UHFFFAOYSA-N

Data  1 KI

  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 = 471680   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM471680(US10822338, Example 52)
Affinity DataKi:  1.20nMAssay Description:Binding affinities of compounds of the invention for the human A2A receptor were determined in a competition binding assay using Scintillation Proxim...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2021
Entry Details
US Patent