BDBM508713 US11046714, Example 147

SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(nn12)[C@@H]1CCCN(C1)c1cncnc1

InChI Key InChIKey=JJESMNPJLANBMC-SNVBAGLBSA-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 = 508713   

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

US Patent
LigandPNGBDBM508713(US11046714, Example 147)
Affinity DataKi:  2.90nMAssay 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