BDBM625979 US11786528, Example 4

SMILES COc1cccc(Cn2cc3c(N)nc(nc3n2)-c2ncco2)c1

InChI Key InChIKey=CRPMPLAMONAWJY-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 = 625979   

TargetAdenosine receptor A2a(Human)
Exscientia

US Patent
LigandPNGBDBM625979(US11786528, Example 4)
Affinity DataIC50: 4.90nMAssay Description:Affinity for the human adenosine receptor sub-types (A2a, A2b, A1 and A3) was determined by SPR as described in Aristotelous, T., et al, Methods in E...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2023
Entry Details
US Patent