BDBM551528 Step 1: rac-1-(4-((3R,5R or 3S,5S)-3 (5-((2,4-dimethoxybenzyl)amino)-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol::US11312719, Example 74

SMILES COc1ccc(CNc2nc3c(OC)cc(F)cc3c3nc(nn23)[C@@H]2C[C@@H](F)CN(C2)c2cnn(CC(C)(C)O)c2)c(OC)c1

InChI Key InChIKey=KNQRBVIESPJOCL-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 551528   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551528BDBM551528(Step 1: rac-1-(4-((3R,5R or 3S,5S)-3 (5-((2,4-dime...)
Affinity DataIC50: 0.900nMAssay 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 551528BDBM551528(Step 1: rac-1-(4-((3R,5R or 3S,5S)-3 (5-((2,4-dime...)
Affinity DataIC50: 153nMAssay 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