Assay Detail
Binding
CHEMBL5111996
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Binding affinity to wild type A3R (unknown origin) expressed in Flp-In-CHO cells assessed as dissociation constant by by Schild analysis
16
Total Activities
16
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 |
|---|---|---|---|
| Kd | 16 | 6.94 | 10.01 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL88147 | — | — | 1 | 10.01 |
| CHEMBL5181728 | — | — | 1 | 7.87 |
| CHEMBL5180268 | — | — | 1 | 7.77 |
| CHEMBL3929812 | — | — | 1 | 7.05 |
| CHEMBL5180010 | — | — | 1 | 7.05 |
| CHEMBL5189470 | — | — | 1 | 6.89 |
| CHEMBL5185003 | — | — | 1 | 6.80 |
| CHEMBL5186062 | — | — | 1 | 6.77 |
| CHEMBL3929143 | — | — | 1 | 6.60 |
| CHEMBL5196781 | — | — | 1 | 6.59 |
| CHEMBL5174600 | — | — | 1 | 6.52 |
| CHEMBL5173159 | — | — | 1 | 6.45 |
| CHEMBL5201810 | — | — | 1 | 6.31 |
| CHEMBL3927012 | — | — | 1 | 6.26 |
| CHEMBL5189274 | — | — | 1 | 6.24 |
| CHEMBL5187501 | — | — | 1 | 5.91 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL88147 | — | Kd | = | 0.09772 | nM | 10.01 |
| CHEMBL5181728 | — | Kd | = | 13.49 | nM | 7.87 |
| CHEMBL5180268 | — | Kd | = | 16.98 | nM | 7.77 |
| CHEMBL3929812 | — | Kd | = | 89.13 | nM | 7.05 |
| CHEMBL5180010 | — | Kd | = | 89.13 | nM | 7.05 |
| CHEMBL5189470 | — | Kd | = | 128.82 | nM | 6.89 |
| CHEMBL5185003 | — | Kd | = | 158.49 | nM | 6.80 |
| CHEMBL5186062 | — | Kd | = | 169.82 | nM | 6.77 |
| CHEMBL3929143 | — | Kd | = | 251.19 | nM | 6.60 |
| CHEMBL5196781 | — | Kd | = | 257.04 | nM | 6.59 |
| CHEMBL5174600 | — | Kd | = | 302.0 | nM | 6.52 |
| CHEMBL5173159 | — | Kd | = | 354.81 | nM | 6.45 |
| CHEMBL5201810 | — | Kd | = | 489.78 | nM | 6.31 |
| CHEMBL3927012 | — | Kd | = | 549.54 | nM | 6.26 |
| CHEMBL5189274 | — | Kd | = | 575.44 | nM | 6.24 |
| CHEMBL5187501 | — | Kd | = | 1230.27 | nM | 5.91 |