Assay Detail
Binding
CHEMBL1819660
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of Escherichia coli TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometry
9
Total Activities
9
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Escherichia coli |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Thymidylate synthase (EC 2.1.1.45) (TS) (TSase) (CHEMBL1795153) ↗| Type | SINGLE PROTEIN |
| Organism | Escherichia coli |
Publication
Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 9 | 6.62 | 7.77 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1738741 | — | — | 1 | 7.77 |
| CHEMBL169896 | OSI-7904 | 2.0 | 1 | 7.64 |
| CHEMBL389051 | — | — | 1 | 7.32 |
| CHEMBL1738740 | — | — | 1 | 7.30 |
| CHEMBL225180 | — | — | 1 | 6.68 |
| CHEMBL1818548 | — | — | 1 | 6.09 |
| CHEMBL1818549 | — | — | 1 | 6.07 |
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | 4.12 |
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1738741 | — | IC50 | = | 17.0 | nM | 7.77 |
| CHEMBL169896 | OSI-7904 | IC50 | = | 23.0 | nM | 7.64 |
| CHEMBL389051 | — | IC50 | = | 48.0 | nM | 7.32 |
| CHEMBL1738740 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL225180 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL1818548 | — | IC50 | = | 820.0 | nM | 6.09 |
| CHEMBL1818549 | — | IC50 | = | 850.0 | nM | 6.07 |
| CHEMBL225072 | PEMETREXED | IC50 | = | 76000.0 | nM | 4.12 |
| CHEMBL34259 | METHOTREXATE | IC50 | > | 18000.0 | nM | - |