Assay Detail
Binding
CHEMBL817302
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Inhibition of human Thymidylate synthase (Ki)
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Design of enzyme inhibitors using iterative protein crystallographic analysis.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 14 | 6.82 | 8.07 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL25889 | — | — | 1 | 8.07 |
| CHEMBL422395 | — | — | 1 | 7.92 |
| CHEMBL417222 | — | — | 1 | 7.89 |
| CHEMBL275685 | — | — | 1 | 7.51 |
| CHEMBL301256 | — | — | 1 | 7.51 |
| CHEMBL291548 | — | — | 1 | 7.30 |
| CHEMBL56662 | — | — | 1 | 7.19 |
| CHEMBL299928 | — | — | 1 | 7.16 |
| CHEMBL301423 | — | — | 1 | 6.41 |
| CHEMBL301844 | — | — | 1 | 6.11 |
| CHEMBL57002 | — | — | 1 | 6.08 |
| CHEMBL57333 | — | — | 1 | 5.66 |
| CHEMBL56992 | — | — | 1 | 5.52 |
| CHEMBL353700 | — | — | 1 | 5.11 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL25889 | — | Ki | = | 8.5 | nM | 8.07 |
| CHEMBL422395 | — | Ki | = | 12.0 | nM | 7.92 |
| CHEMBL417222 | — | Ki | = | 13.0 | nM | 7.89 |
| CHEMBL275685 | — | Ki | = | 31.0 | nM | 7.51 |
| CHEMBL301256 | — | Ki | = | 31.0 | nM | 7.51 |
| CHEMBL291548 | — | Ki | = | 50.0 | nM | 7.30 |
| CHEMBL56662 | — | Ki | = | 64.0 | nM | 7.19 |
| CHEMBL299928 | — | Ki | = | 69.0 | nM | 7.16 |
| CHEMBL301423 | — | Ki | = | 390.0 | nM | 6.41 |
| CHEMBL301844 | — | Ki | = | 770.0 | nM | 6.11 |
| CHEMBL57002 | — | Ki | = | 840.0 | nM | 6.08 |
| CHEMBL57333 | — | Ki | = | 2200.0 | nM | 5.66 |
| CHEMBL56992 | — | Ki | = | 3000.0 | nM | 5.52 |
| CHEMBL353700 | — | Ki | = | 7700.0 | nM | 5.11 |