BDBM508663 US11046714, Example 100

SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3Cc4ncccc4C3=O)nn12

InChI Key InChIKey=OUIITEZPCFFLEE-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 508663   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM508663(US11046714, Example 100)
Affinity DataKi:  6.5nMAssay 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
In Depth
Date in BDB:
12/28/2021
Entry Details
US Patent