BDBM551467 (S or R)-3-(4-((R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo [1,5-c]quinazolin-2-yl)piperidin-1-yl)-1H-pyrazol-1-yl)-2-methylbutan-2-ol::US11312719, Example 12::US11312719, Example 13

SMILES COc1cc2nc(N)n3nc(nc3c2cc1F)[C@@H]1CCCN(C1)c1cnn(c1)C(C)C(C)(C)O

InChI Key InChIKey=KDRQPCARSPSUSC-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 551467   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551467(US11312719, Example 13 | (S or R)-3-(4-((R)-3-(5-a...)
Affinity DataIC50: 1.70nMAssay 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
Go to US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551467(US11312719, Example 13 | (S or R)-3-(4-((R)-3-(5-a...)
Affinity DataIC50: 75nMAssay 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

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551467(US11312719, Example 13 | (S or R)-3-(4-((R)-3-(5-a...)
Affinity DataIC50: 0.700nMAssay 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
Go to US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551467(US11312719, Example 13 | (S or R)-3-(4-((R)-3-(5-a...)
Affinity DataIC50: 72.6nMAssay 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