Assay Detail
Binding
CHEMBL811075
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Inhibitory concentration against isolated Escherichia coli Thymidylate synthase
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Escherichia coli |
| Confidence | 9 — Direct single protein target |
| Curated By | Intermediate |
Publication
Design, synthesis, and X-ray crystal structure of a potent dual inhibitor of thymidylate synthase and dihydrofolate reductase as an antitumor agent.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 5 | 5.63 | 7.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL389051 | — | — | 1 | 7.00 |
| CHEMBL439973 | — | — | 1 | 5.70 |
| CHEMBL225071 | RALTITREXED | 4.0 | 1 | 5.00 |
| CHEMBL124256 | — | — | 1 | 4.80 |
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL389051 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL439973 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL225071 | RALTITREXED | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL124256 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL225072 | PEMETREXED | IC50 | = | 110000.0 | nM | - |