Assay Detail
Binding
CHEMBL5111997
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Binding affinity to wild type A3R (unknown origin) expressed in CHO-K1 cells assessed as equilibrium binding affinity constant by nanoBRET assay
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Cell Type | Flp-In-CHO |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Dual A1/A3 Adenosine Receptor Antagonists: Binding Kinetics and Structure-Activity Relationship Studies Using Mutagenesis and Alchemical Binding Free Energy Calculations.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 17 | 7.00 | 9.94 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5201810 | — | — | 1 | 9.94 |
| CHEMBL5181728 | — | — | 1 | 8.01 |
| CHEMBL5180268 | — | — | 1 | 7.36 |
| CHEMBL3929812 | — | — | 1 | 7.26 |
| CHEMBL88147 | — | — | 1 | 7.19 |
| CHEMBL5174600 | — | — | 1 | 7.19 |
| CHEMBL5185003 | — | — | 1 | 7.07 |
| CHEMBL3929143 | — | — | 1 | 7.00 |
| CHEMBL5189274 | — | — | 1 | 6.95 |
| CHEMBL5196781 | — | — | 1 | 6.88 |
| CHEMBL464859 | NECA | — | 1 | 6.72 |
| CHEMBL5186062 | — | — | 1 | 6.63 |
| CHEMBL5180010 | — | — | 1 | 6.60 |
| CHEMBL5189470 | — | — | 1 | 6.33 |
| CHEMBL5173159 | — | — | 1 | 6.22 |
| CHEMBL3927012 | — | — | 1 | 6.20 |
| CHEMBL5187501 | — | — | 1 | 5.49 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5201810 | — | Ki | = | 0.1148 | nM | 9.94 |
| CHEMBL5181728 | — | Ki | = | 9.772 | nM | 8.01 |
| CHEMBL5180268 | — | Ki | = | 43.65 | nM | 7.36 |
| CHEMBL3929812 | — | Ki | = | 54.95 | nM | 7.26 |
| CHEMBL88147 | — | Ki | = | 64.57 | nM | 7.19 |
| CHEMBL5174600 | — | Ki | = | 64.57 | nM | 7.19 |
| CHEMBL5185003 | — | Ki | = | 85.11 | nM | 7.07 |
| CHEMBL3929143 | — | Ki | = | 100.0 | nM | 7.00 |
| CHEMBL5189274 | — | Ki | = | 112.2 | nM | 6.95 |
| CHEMBL5196781 | — | Ki | = | 131.83 | nM | 6.88 |
| CHEMBL464859 | NECA | Ki | = | 190.55 | nM | 6.72 |
| CHEMBL5186062 | — | Ki | = | 234.42 | nM | 6.63 |
| CHEMBL5180010 | — | Ki | = | 251.19 | nM | 6.60 |
| CHEMBL5189470 | — | Ki | = | 467.74 | nM | 6.33 |
| CHEMBL5173159 | — | Ki | = | 602.56 | nM | 6.22 |
| CHEMBL3927012 | — | Ki | = | 630.96 | nM | 6.20 |
| CHEMBL5187501 | — | Ki | = | 3235.94 | nM | 5.49 |