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Assay Detail

CHEMBL5129723

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

Binding
Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F cells assessed as dissociation constant by surface plasmon resonance assay
27
Total Activities
27
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type Expi293F
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Adenosine receptor A2a (CHEMBL251)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Surface Plasmon Resonance Screening to Identify Active and Selective Adenosine Receptor Binding Fragments.
Shepherd C, Robinson S, Berizzi A, Thompson LEJ, Bird L, Culurgioni S, Varzandeh S, Rawlins PB, Olsen RHJ, Navratilova IH.
ACS Med Chem Lett (2022) 13 : 1172 -1181
PubMed 35859869 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 26 5.15 9.54
Activity 1 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL113142 ZM-241385 1 9.54
CHEMBL1256672 1 8.04
CHEMBL477 ADENOSINE 4.0 1 7.76
CHEMBL160333 1 6.96
CHEMBL408564 1 6.25
CHEMBL3954022 1 5.96
CHEMBL337319 BENZOGUANAMINE 1 5.82
CHEMBL1355736 THEOPHYLLINE 4.0 1 5.44
CHEMBL113 CAFFEINE 4.0 1 5.26
CHEMBL485745 GW434756X 1 5.05
CHEMBL336555 1 5.02
CHEMBL5208068 1 4.87
CHEMBL5184937 1 4.66
CHEMBL5204663 1 4.54
CHEMBL5197657 1 4.50
CHEMBL4550896 1 4.40
CHEMBL5193059 1 4.31
CHEMBL5201800 1 4.30
CHEMBL143703 1 4.29
CHEMBL1467 ALLOPURINOL 4.0 1 4.11
CHEMBL5195119 1 4.00
CHEMBL47633 1 3.89
CHEMBL1573515 1 3.88
CHEMBL5193006 1 3.86
CHEMBL5197070 1 3.68
CHEMBL1417210 1 3.39
CHEMBL63803 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL113142 ZM-241385 Kd = 0.286 nM 9.54
CHEMBL1256672 Kd = 9.1 nM 8.04
CHEMBL477 ADENOSINE Kd = 17.3 nM 7.76
CHEMBL160333 Kd = 110.0 nM 6.96
CHEMBL408564 Kd = 560.0 nM 6.25
CHEMBL3954022 Kd = 1110.0 nM 5.96
CHEMBL337319 BENZOGUANAMINE Kd = 1500.0 nM 5.82
CHEMBL1355736 THEOPHYLLINE Kd = 3630.0 nM 5.44
CHEMBL113 CAFFEINE Kd = 5510.0 nM 5.26
CHEMBL485745 GW434756X Kd = 8900.0 nM 5.05
CHEMBL336555 Kd = 9600.0 nM 5.02
CHEMBL5208068 Kd = 13500.0 nM 4.87
CHEMBL5184937 Kd = 21800.0 nM 4.66
CHEMBL5204663 Kd = 28800.0 nM 4.54
CHEMBL5197657 Kd = 31800.0 nM 4.50
CHEMBL4550896 Kd = 40000.0 nM 4.40
CHEMBL5193059 Kd = 49000.0 nM 4.31
CHEMBL5201800 Kd = 50000.0 nM 4.30
CHEMBL143703 Kd = 50900.0 nM 4.29
CHEMBL1467 ALLOPURINOL Kd = 77000.0 nM 4.11
CHEMBL5195119 Kd = 100000.0 nM 4.00
CHEMBL47633 Kd = 130000.0 nM 3.89
CHEMBL1573515 Kd = 131000.0 nM 3.88
CHEMBL5193006 Kd = 139000.0 nM 3.86
CHEMBL5197070 Kd = 210000.0 nM 3.68
CHEMBL1417210 Kd = 410000.0 nM 3.39
CHEMBL63803 Activity - -