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Assay Detail

CHEMBL5111994

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Functional
Antagonist activity at wild type A3R (unknown origin) expressed in Flp-In-CHO cells assessed as inhibition of NECA reduced forskolin stimulated cAMP accumulation incubated for 30 mins
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Functional
Organism Homo sapiens
Cell Type Flp-In-CHO
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Adenosine receptor A3 (CHEMBL256)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Dual A1/A3 Adenosine Receptor Antagonists: Binding Kinetics and Structure-Activity Relationship Studies Using Mutagenesis and Alchemical Binding Free Energy Calculations.
Stampelou M, Suchankova A, Tzortzini E, Dhingra L, Barkan K, Lougiakis N, Marakos P, Pouli N, Ladds G, Kolocouris A.
J Med Chem (2022) 65 : 13305 -13327
PubMed 36173355 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 17 8.31 10.01

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL88147 1 10.01
CHEMBL464859 NECA 1 9.03
CHEMBL5187501 1 8.71
CHEMBL5189274 1 8.56
CHEMBL3927012 1 8.55
CHEMBL5201810 1 8.52
CHEMBL5173159 1 8.42
CHEMBL5174600 1 8.37
CHEMBL5196781 1 8.31
CHEMBL3929143 1 8.29
CHEMBL5186062 1 8.17
CHEMBL5185003 1 8.14
CHEMBL5189470 1 8.05
CHEMBL5180010 1 7.91
CHEMBL3929812 1 7.91
CHEMBL5180268 1 7.22
CHEMBL5181728 1 7.12

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL88147 IC50 = 0.09772 nM 10.01
CHEMBL464859 NECA IC50 = 0.9333 nM 9.03
CHEMBL5187501 IC50 = 1.95 nM 8.71
CHEMBL5189274 IC50 = 2.754 nM 8.56
CHEMBL3927012 IC50 = 2.818 nM 8.55
CHEMBL5201810 IC50 = 3.02 nM 8.52
CHEMBL5173159 IC50 = 3.802 nM 8.42
CHEMBL5174600 IC50 = 4.266 nM 8.37
CHEMBL5196781 IC50 = 4.898 nM 8.31
CHEMBL3929143 IC50 = 5.129 nM 8.29
CHEMBL5186062 IC50 = 6.761 nM 8.17
CHEMBL5185003 IC50 = 7.244 nM 8.14
CHEMBL5189470 IC50 = 8.913 nM 8.05
CHEMBL5180010 IC50 = 12.3 nM 7.91
CHEMBL3929812 IC50 = 12.3 nM 7.91
CHEMBL5180268 IC50 = 60.26 nM 7.22
CHEMBL5181728 IC50 = 75.86 nM 7.12