BDBM551589 US11312719, Example 135::US11312719, Example 136::US11312719, Example 137::US11312719, Example 138

SMILES CCC1CCC(CN1c1cnn(CC(C)(C)O)c1)c1nc2c3cc(F)c(OC)cc3nc(N)n2n1

InChI Key InChIKey=GPQHBQJYGUIQFQ-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 551589   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551589BDBM551589(US11312719, Example 136 | US11312719, Example 137 ...)
Affinity DataIC50: 1nMAssay 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 551589BDBM551589(US11312719, Example 136 | US11312719, Example 137 ...)
Affinity DataIC50: 7.90nMAssay 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

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551589BDBM551589(US11312719, Example 136 | US11312719, Example 137 ...)
Affinity DataIC50: 13.2nMAssay 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 A2a(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551589BDBM551589(US11312719, Example 136 | US11312719, Example 137 ...)
Affinity DataIC50: 14.1nMAssay 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 A2a(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551589BDBM551589(US11312719, Example 136 | US11312719, Example 137 ...)
Affinity DataIC50: 79.3nMAssay 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 551589BDBM551589(US11312719, Example 136 | US11312719, Example 137 ...)
Affinity DataIC50: 583nMAssay 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

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551589BDBM551589(US11312719, Example 136 | US11312719, Example 137 ...)
Affinity DataIC50: 924nMAssay 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

TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 551589BDBM551589(US11312719, Example 136 | US11312719, Example 137 ...)
Affinity DataIC50: 2.26E+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
US Patent