BDBM551604 (1R,3R or 1S,3S)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)cyclohexan-1-ol::US11312719, Example 150

SMILES COc1cccc2c3nc(nn3c(N)nc12)C1CCCC(O)(C1)c1cnn(CC(C)(C)O)c1

InChI Key InChIKey=NMHKBAWEMIHTMM-UHFFFAOYSA-N

Data  2 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 = 551604   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551604BDBM551604((1R,3R or 1S,3S)-3-(5-amino-7-methoxy-[1,2,4]triaz...)
Affinity DataIC50: 1.30nMAssay Description:148 μL, (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM4001A) and 2 μL compounds of the invention to be tested (test compound) were transferred t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2025
Entry Details
US Patent

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551604BDBM551604((1R,3R or 1S,3S)-3-(5-amino-7-methoxy-[1,2,4]triaz...)
Affinity DataIC50: 1.40nMAssay 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 551604BDBM551604((1R,3R or 1S,3S)-3-(5-amino-7-methoxy-[1,2,4]triaz...)
Affinity DataIC50: 168nMAssay Description:148 μL, (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM4001A) and 2 μL compounds of the invention to be tested (test compound) were transferred t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2025
Entry Details
US Patent

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551604BDBM551604((1R,3R or 1S,3S)-3-(5-amino-7-methoxy-[1,2,4]triaz...)
Affinity DataIC50: 181nMAssay 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