BDBM508665 US11046714, Example 102

SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CN3CCN(CC33CC3)c3ccc(F)cc3)nn12

InChI Key InChIKey=GTEDXWGWLKSZPK-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 = 508665   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508665(US11046714, Example 102)
Affinity DataKi:  3.5nMAssay Description:The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent