Assay Detail
Binding
CHEMBL916822
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of Escherichia coli thymidylate synthase
7
Total Activities
7
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
Benzoyl ring halogenated classical 2-amino-6-methyl-3,4-dihydro-4-oxo-5-substituted thiobenzoyl-7H-pyrrolo[2,3-d]pyrimidine antifolates as inhibitors of thymidylate synthase and as antitumor agents.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 7 | 5.75 | 7.14 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL389051 | — | — | 1 | 7.14 |
| CHEMBL225180 | — | — | 1 | 6.57 |
| CHEMBL388340 | — | — | 1 | 6.14 |
| CHEMBL224868 | — | — | 1 | 5.29 |
| CHEMBL225071 | RALTITREXED | 4.0 | 1 | 5.24 |
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | 4.12 |
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL389051 | — | IC50 | = | 72.0 | nM | 7.14 |
| CHEMBL225180 | — | IC50 | = | 270.0 | nM | 6.57 |
| CHEMBL388340 | — | IC50 | = | 720.0 | nM | 6.14 |
| CHEMBL224868 | — | IC50 | = | 5100.0 | nM | 5.29 |
| CHEMBL225071 | RALTITREXED | IC50 | = | 5700.0 | nM | 5.24 |
| CHEMBL225072 | PEMETREXED | IC50 | = | 76000.0 | nM | 4.12 |
| CHEMBL34259 | METHOTREXATE | IC50 | - | — | - |