BDBM551580 US11312719, Example 126::US11312719, Example 127::US11312719, Example 128::rac-2-(4-((2R or 2S,5R or 5S)-5-(5-amino-9-fluoro- 8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2- methylpiperidin-1-yl)-1H-pyrazol-1-yl)-2-methylpropan-1-ol

SMILES COc1cc2nc(N)n3nc(nc3c2cc1F)C1CCC(C)N(C1)c1cnn(c1)C(C)(C)CO

InChI Key InChIKey=DTAGSSSSNKERPO-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 = 551580   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551580(US11312719, Example 128 | rac-2-(4-((2R or 2S,5R o...)
Affinity DataIC50: 2.60nMAssay 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
LigandPNGBDBM551580(US11312719, Example 128 | rac-2-(4-((2R or 2S,5R o...)
Affinity DataIC50: 2.16E+3nMAssay 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
LigandPNGBDBM551580(US11312719, Example 128 | rac-2-(4-((2R or 2S,5R o...)
Affinity DataIC50: 120nMAssay 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
LigandPNGBDBM551580(US11312719, Example 128 | rac-2-(4-((2R or 2S,5R o...)
Affinity DataIC50: 1.16E+3nMAssay 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
LigandPNGBDBM551580(US11312719, Example 128 | rac-2-(4-((2R or 2S,5R o...)
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
LigandPNGBDBM551580(US11312719, Example 128 | rac-2-(4-((2R or 2S,5R o...)
Affinity DataIC50: 2.40nMAssay 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