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Assay Detail

CHEMBL5112019

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

Binding
Binding affinity to A1R S267 7.32A mutant (unknown origin) in by saturation NanoBRET binding assay
3
Total Activities
3
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Adenosine receptor A1 (CHEMBL226)
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
Kd 3 7.19 8.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5181728 1 8.10
CHEMBL5187736 1 7.15
CHEMBL464859 NECA 1 6.31

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5181728 Kd = 7.943 nM 8.10
CHEMBL5187736 Kd = 70.99 nM 7.15
CHEMBL464859 NECA Kd = 489.78 nM 6.31