Assay Detail
Binding
CHEMBL5112007
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Binding affinity to Nluc-A3R (unknown origin) expressed in HEK293 cells by nanoBRET assay
16
Total Activities
16
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Cell Type | HEK293 |
| 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 |
|---|---|---|---|
| Kd | 11 | 7.30 | 10.11 |
| pKd | 5 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL88147 | — | — | 1 | 10.11 |
| CHEMBL5181728 | — | — | 1 | 8.00 |
| CHEMBL5180268 | — | — | 1 | 7.58 |
| CHEMBL3929143 | — | — | 1 | 7.13 |
| CHEMBL5180010 | — | — | 1 | 7.11 |
| CHEMBL3929812 | — | — | 1 | 7.07 |
| CHEMBL5189470 | — | — | 1 | 7.00 |
| CHEMBL5185003 | — | — | 1 | 6.73 |
| CHEMBL5196781 | — | — | 1 | 6.59 |
| CHEMBL5189274 | — | — | 1 | 6.56 |
| CHEMBL5201810 | — | — | 1 | 6.45 |
| CHEMBL5187501 | — | — | 1 | - |
| CHEMBL3927012 | — | — | 1 | - |
| CHEMBL5173159 | — | — | 1 | - |
| CHEMBL5186062 | — | — | 1 | - |
| CHEMBL5174600 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL88147 | — | Kd | = | 0.07762 | nM | 10.11 |
| CHEMBL5181728 | — | Kd | = | 10.0 | nM | 8.00 |
| CHEMBL5180268 | — | Kd | = | 26.3 | nM | 7.58 |
| CHEMBL3929143 | — | Kd | = | 74.13 | nM | 7.13 |
| CHEMBL5180010 | — | Kd | = | 77.62 | nM | 7.11 |
| CHEMBL3929812 | — | Kd | = | 85.11 | nM | 7.07 |
| CHEMBL5189470 | — | Kd | = | 100.0 | nM | 7.00 |
| CHEMBL5185003 | — | Kd | = | 186.21 | nM | 6.73 |
| CHEMBL5196781 | — | Kd | = | 257.04 | nM | 6.59 |
| CHEMBL5189274 | — | Kd | = | 275.42 | nM | 6.56 |
| CHEMBL5201810 | — | Kd | = | 354.81 | nM | 6.45 |
| CHEMBL5187501 | — | pKd | - | — | - | |
| CHEMBL3927012 | — | pKd | - | — | - | |
| CHEMBL5173159 | — | pKd | - | — | - | |
| CHEMBL5186062 | — | pKd | - | — | - | |
| CHEMBL5174600 | — | pKd | - | — | - |