BDBM551544 1-(4-((3R,5S or 3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol and 1-(4-((3S,5R or 3R,5S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol::US11312719, Example 90

SMILES COc1cc2nc(N)n3nc(nc3c2cc1F)[C@H]1C[C@@H](C)CN(C1)C1=NC(CC(C)(C)O)N=C1

InChI Key InChIKey=DKKJYMQFHOJNRY-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 551544   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551544BDBM551544(1-(4-((3R,5S or 3S,5R)-3-(5-amino-9-fluoro-8-metho...)
Affinity DataIC50: 1.20nMAssay 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
US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551544BDBM551544(1-(4-((3R,5S or 3S,5R)-3-(5-amino-9-fluoro-8-metho...)
Affinity DataIC50: 29nMAssay 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
US Patent