BDBM551550 Step 1: 4-nitro-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazole::US11312719, Example 96

SMILES COc1cc2nc(N)n3nc(nc3c2cc1F)[C@H]1CC[C@@H](C)N(C1)c1cnn(c1)C1CCC(C)(O)CC1

InChI Key InChIKey=OKKCDDNPERKWBO-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 = 551550   

TargetAdenosine receptor A2a(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551550(Step 1: 4-nitro-1-(1,4-dioxaspiro[4.5]decan-8-yl)-...)
Affinity DataIC50: 0.700nMAssay 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
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TargetAdenosine receptor A2b(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM551550(Step 1: 4-nitro-1-(1,4-dioxaspiro[4.5]decan-8-yl)-...)
Affinity DataIC50: 24.6nMAssay 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