BDBM551540 (S or R)-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)-2-methylbutan-2-ol::US11312719, Example 86::US11312719, Example 87

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

InChI Key InChIKey=WKFCEYZYJQJXIQ-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 551540   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551540(US11312719, Example 87 | (S or R)-3-(4-((R)-3-(5-a...)
Affinity DataIC50: 0.300nMAssay 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
LigandPNGBDBM551540(US11312719, Example 87 | (S or R)-3-(4-((R)-3-(5-a...)
Affinity DataIC50: 165nMAssay 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
LigandPNGBDBM551540(US11312719, Example 87 | (S or R)-3-(4-((R)-3-(5-a...)
Affinity DataIC50: 0.400nMAssay 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
LigandPNGBDBM551540(US11312719, Example 87 | (S or R)-3-(4-((R)-3-(5-a...)
Affinity DataIC50: 134nMAssay 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