BDBM551492 (R)-1-(3-(3-(5-amino-9-fluoro-7-methoxy-[1,2,4]trazolo[1,5-c] quinazolin-2-yl)piperidin-1-yl)-5-methyl-1H-1,2,4-triazol-1-yl)- 2-methylpropan-2-ol::US11312719, Example 37

SMILES COc1cc(F)cc2c3nc(nn3c(N)nc12)[C@@H]1CCCN(C1)c1nc(C)n(CC(C)(C)O)n1

InChI Key InChIKey=SQKYXWHNSAXBRW-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 551492   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551492BDBM551492((R)-1-(3-(3-(5-amino-9-fluoro-7-methoxy-[1,2,4]tra...)
Affinity DataIC50: 1.10nMAssay Description:148 μL (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 μL compounds of the invention to be tested (test compound) were...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551492BDBM551492((R)-1-(3-(3-(5-amino-9-fluoro-7-methoxy-[1,2,4]tra...)
Affinity DataIC50: 468nMAssay Description:The reported affinity of the compounds of the invention for the human A2b adenosine receptor was determined experimentally using a radioligand filtra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
US Patent