Assay Detail
Binding
CHEMBL901108
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Binding affinity at CB1 receptor
30
Total Activities
30
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Intermediate |
Publication
Combined 3D QSAR and molecular docking studies to reveal novel cannabinoid ligands with optimum binding activity.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 30 | 7.64 | 9.49 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL476325 | — | — | 1 | 9.49 |
| CHEMBL19847 | — | — | 1 | 9.36 |
| CHEMBL108868 | — | — | 1 | 9.35 |
| CHEMBL108085 | — | — | 1 | 9.28 |
| CHEMBL118631 | — | — | 1 | 9.15 |
| CHEMBL411626 | — | — | 1 | 9.08 |
| CHEMBL120669 | — | — | 1 | 8.90 |
| CHEMBL108392 | — | — | 1 | 8.74 |
| CHEMBL239840 | — | — | 1 | 8.66 |
| CHEMBL205888 | — | — | 1 | 8.08 |
| CHEMBL381492 | — | — | 1 | 7.93 |
| CHEMBL67464 | — | — | 1 | 7.66 |
| CHEMBL418555 | — | — | 1 | 7.66 |
| CHEMBL206859 | — | — | 1 | 7.55 |
| CHEMBL325135 | — | — | 1 | 7.49 |
| CHEMBL267227 | DELTA-8-TETRAHYDROCANNABINOL | 2.0 | 1 | 7.32 |
| CHEMBL205908 | — | — | 1 | 7.24 |
| CHEMBL322112 | — | — | 1 | 7.24 |
| CHEMBL394305 | — | — | 1 | 7.23 |
| CHEMBL382684 | — | — | 1 | 7.02 |
| CHEMBL203131 | — | — | 1 | 6.92 |
| CHEMBL239208 | — | — | 1 | 6.87 |
| CHEMBL111345 | — | — | 1 | 6.77 |
| CHEMBL394006 | — | — | 1 | 6.72 |
| CHEMBL238781 | — | — | 1 | 6.59 |
| CHEMBL400040 | — | — | 1 | 6.50 |
| CHEMBL241758 | — | — | 1 | 6.20 |
| CHEMBL238972 | — | — | 1 | 6.18 |
| CHEMBL238570 | — | — | 1 | 6.12 |
| CHEMBL236171 | — | — | 1 | 5.90 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL476325 | — | Ki | = | 0.3236 | nM | 9.49 |
| CHEMBL19847 | — | Ki | = | 0.4365 | nM | 9.36 |
| CHEMBL108868 | — | Ki | = | 0.4467 | nM | 9.35 |
| CHEMBL108085 | — | Ki | = | 0.5248 | nM | 9.28 |
| CHEMBL118631 | — | Ki | = | 0.7079 | nM | 9.15 |
| CHEMBL411626 | — | Ki | = | 0.8318 | nM | 9.08 |
| CHEMBL120669 | — | Ki | = | 1.259 | nM | 8.90 |
| CHEMBL108392 | — | Ki | = | 1.82 | nM | 8.74 |
| CHEMBL239840 | — | Ki | = | 2.188 | nM | 8.66 |
| CHEMBL205888 | — | Ki | = | 8.318 | nM | 8.08 |
| CHEMBL381492 | — | Ki | = | 11.75 | nM | 7.93 |
| CHEMBL67464 | — | Ki | = | 21.88 | nM | 7.66 |
| CHEMBL418555 | — | Ki | = | 21.88 | nM | 7.66 |
| CHEMBL206859 | — | Ki | = | 28.18 | nM | 7.55 |
| CHEMBL325135 | — | Ki | = | 32.36 | nM | 7.49 |
| CHEMBL267227 | DELTA-8-TETRAHYDROCANNABINOL | Ki | = | 47.86 | nM | 7.32 |
| CHEMBL205908 | — | Ki | = | 57.54 | nM | 7.24 |
| CHEMBL322112 | — | Ki | = | 57.54 | nM | 7.24 |
| CHEMBL394305 | — | Ki | = | 58.88 | nM | 7.23 |
| CHEMBL382684 | — | Ki | = | 95.5 | nM | 7.02 |
| CHEMBL203131 | — | Ki | = | 120.23 | nM | 6.92 |
| CHEMBL239208 | — | Ki | = | 134.9 | nM | 6.87 |
| CHEMBL111345 | — | Ki | = | 169.82 | nM | 6.77 |
| CHEMBL394006 | — | Ki | = | 190.55 | nM | 6.72 |
| CHEMBL238781 | — | Ki | = | 257.04 | nM | 6.59 |
| CHEMBL400040 | — | Ki | = | 316.23 | nM | 6.50 |
| CHEMBL241758 | — | Ki | = | 630.96 | nM | 6.20 |
| CHEMBL238972 | — | Ki | = | 660.69 | nM | 6.18 |
| CHEMBL238570 | — | Ki | = | 758.58 | nM | 6.12 |
| CHEMBL236171 | — | Ki | = | 1258.93 | nM | 5.90 |