BDBM551501 9-fluoro-8-methoxy-24(3R,6S or 3S,6R)-6-methyl-1-(3-methyl- 1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)piperidin-3-yl) [1,2,4]triazolo[1,5-c]quinazolin-5-amine::US11312719, Example 46

SMILES COc1cc2nc(N)n3nc(nc3c2cc1F)C1CCC(C)N(C1)c1cn(nc1C)C1CCOCC1

InChI Key InChIKey=UNKGUPTZUTUADB-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 551501   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551501(9-fluoro-8-methoxy-24(3R,6S or 3S,6R)-6-methyl-1-(...)
Affinity DataIC50: 0.600nMAssay 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
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Date in BDB:
8/6/2022
Entry Details
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TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551501(9-fluoro-8-methoxy-24(3R,6S or 3S,6R)-6-methyl-1-(...)
Affinity DataIC50: 86.4nMAssay 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
Go to US Patent