Assay Detail
Binding
CHEMBL811587
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Binding affinity against recombinant human thymidylate synthase
28
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
Structure-based design of substituted diphenyl sulfones and sulfoxides as lipophilic inhibitors of thymidylate synthase.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 28 | 7.24 | 7.92 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL417222 | — | — | 2 | 7.92 |
| CHEMBL158542 | — | — | 2 | 7.70 |
| CHEMBL159213 | — | — | 2 | 7.68 |
| CHEMBL162076 | — | — | 2 | 7.62 |
| CHEMBL159364 | — | — | 2 | 7.58 |
| CHEMBL160215 | — | — | 2 | 7.57 |
| CHEMBL159209 | — | — | 2 | 7.35 |
| CHEMBL161685 | — | — | 2 | 7.34 |
| CHEMBL291548 | — | — | 2 | 7.30 |
| CHEMBL161025 | — | — | 2 | 7.30 |
| CHEMBL162754 | — | — | 2 | 7.21 |
| CHEMBL161450 | — | — | 2 | 7.16 |
| CHEMBL159144 | — | — | 2 | 6.82 |
| CHEMBL157702 | — | — | 2 | 6.58 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL417222 | — | Ki | = | 12.0 | nM | 7.92 |
| CHEMBL158542 | — | Ki | = | 20.0 | nM | 7.70 |
| CHEMBL417222 | — | Ki | = | 21.0 | nM | 7.68 |
| CHEMBL159213 | — | Ki | = | 21.0 | nM | 7.68 |
| CHEMBL162076 | — | Ki | = | 24.0 | nM | 7.62 |
| CHEMBL159213 | — | Ki | = | 25.0 | nM | 7.60 |
| CHEMBL159364 | — | Ki | = | 26.0 | nM | 7.58 |
| CHEMBL160215 | — | Ki | = | 27.0 | nM | 7.57 |
| CHEMBL160215 | — | Ki | = | 37.0 | nM | 7.43 |
| CHEMBL159209 | — | Ki | = | 45.0 | nM | 7.35 |
| CHEMBL161685 | — | Ki | = | 46.0 | nM | 7.34 |
| CHEMBL158542 | — | Ki | = | 46.0 | nM | 7.34 |
| CHEMBL161025 | — | Ki | = | 50.0 | nM | 7.30 |
| CHEMBL291548 | — | Ki | = | 50.0 | nM | 7.30 |
| CHEMBL162076 | — | Ki | = | 55.0 | nM | 7.26 |
| CHEMBL159364 | — | Ki | = | 58.0 | nM | 7.24 |
| CHEMBL162754 | — | Ki | = | 61.0 | nM | 7.21 |
| CHEMBL161450 | — | Ki | = | 70.0 | nM | 7.16 |
| CHEMBL161685 | — | Ki | = | 73.0 | nM | 7.14 |
| CHEMBL159209 | — | Ki | = | 77.0 | nM | 7.11 |
| CHEMBL162754 | — | Ki | = | 110.0 | nM | 6.96 |
| CHEMBL161025 | — | Ki | = | 120.0 | nM | 6.92 |
| CHEMBL161450 | — | Ki | = | 150.0 | nM | 6.82 |
| CHEMBL159144 | — | Ki | = | 150.0 | nM | 6.82 |
| CHEMBL157702 | — | Ki | = | 260.0 | nM | 6.58 |
| CHEMBL159144 | — | Ki | = | 380.0 | nM | 6.42 |
| CHEMBL157702 | — | Ki | = | 390.0 | nM | 6.41 |
| CHEMBL291548 | — | Ki | 84.0 | nM | - |