Assay Detail
Binding
CHEMBL859613
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Inhibition of TS from Escherichia coli
8
Total Activities
8
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
Dual inhibitors of thymidylate synthase and dihydrofolate reductase as antitumor agents: design, synthesis, and biological evaluation of classical and nonclassical pyrrolo[2,3-d]pyrimidine antifolates(1).
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 8 | 5.66 | 7.14 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL389051 | — | — | 1 | 7.14 |
| CHEMBL225180 | — | — | 1 | 6.57 |
| CHEMBL371860 | — | — | 1 | 6.27 |
| CHEMBL225071 | RALTITREXED | 4.0 | 1 | 5.24 |
| CHEMBL201617 | — | — | 1 | 4.62 |
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | 4.12 |
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | - |
| CHEMBL202337 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL389051 | — | IC50 | = | 72.0 | nM | 7.14 |
| CHEMBL225180 | — | IC50 | = | 270.0 | nM | 6.57 |
| CHEMBL371860 | — | IC50 | = | 540.0 | nM | 6.27 |
| CHEMBL225071 | RALTITREXED | IC50 | = | 5700.0 | nM | 5.24 |
| CHEMBL201617 | — | IC50 | = | 24000.0 | nM | 4.62 |
| CHEMBL225072 | PEMETREXED | IC50 | = | 76000.0 | nM | 4.12 |
| CHEMBL34259 | METHOTREXATE | IC50 | - | — | - | |
| CHEMBL202337 | — | IC50 | = | 3e-05 | nM | - |