BDBM551643 (2S,3S or 2R,3R)-3-(4-((R)-3-(5-amino-9-fluoro-7- methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl) piperidin-1-yl)-3-methyl-1H-pyrazol-1-yl)butan-2-ol::US11312719, Example 189::US11312719, Example 190

SMILES COc1cc(F)cc2c3nc(nn3c(N)nc12)[C@@H]1CCCN(C1)c1cn(nc1C)C(C)C(C)O

InChI Key InChIKey=QPCXKEGURWUDNH-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 551643   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551643(US11312719, Example 190 | (2S,3S or 2R,3R)-3-(4-((...)
Affinity DataIC50: 0.5nMAssay Description:The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
Go to US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551643(US11312719, Example 190 | (2S,3S or 2R,3R)-3-(4-((...)
Affinity DataIC50: 53.4nMAssay Description:The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
Go to US Patent

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551643(US11312719, Example 190 | (2S,3S or 2R,3R)-3-(4-((...)
Affinity DataIC50: 0.800nMAssay Description:The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
Go to US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551643(US11312719, Example 190 | (2S,3S or 2R,3R)-3-(4-((...)
Affinity DataIC50: 55.9nMAssay Description:The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
Go to US Patent