BDBM551524 1-(4-((3R,5S or 3S,5R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4] triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl)- 3-methyl-1H-pyrazol-1-yl)-2-methylpropan-2-ol::US11312719, Example 70::US11312719, Example 71::US11312719, Example 76::US11312719, Example 77

SMILES COc1cc(F)cc2c3nc(nn3c(N)nc12)C1CC(F)CN(C1)c1cn(CC(C)(C)O)nc1C

InChI Key InChIKey=UFUFMCVQSWKUKL-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 551524   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551524(US11312719, Example 76 | 1-(4-((3R,5S or 3S,5R)-3-...)
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
In Depth
Date in BDB:
8/6/2022
Entry Details
Go to US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551524(US11312719, Example 76 | 1-(4-((3R,5S or 3S,5R)-3-...)
Affinity DataIC50: 786nMAssay 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
LigandPNGBDBM551524(US11312719, Example 76 | 1-(4-((3R,5S or 3S,5R)-3-...)
Affinity DataIC50: 35.6nMAssay 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 A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551524(US11312719, Example 76 | 1-(4-((3R,5S or 3S,5R)-3-...)
Affinity DataIC50: 256nMAssay 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 A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551524(US11312719, Example 76 | 1-(4-((3R,5S or 3S,5R)-3-...)
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
LigandPNGBDBM551524(US11312719, Example 76 | 1-(4-((3R,5S or 3S,5R)-3-...)
Affinity DataIC50: 108nMAssay 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