Assay Detail
Binding
CHEMBL1034979
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Inhibition of human thymidylate synthase
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Potent dual thymidylate synthase and dihydrofolate reductase inhibitors: classical and nonclassical 2-amino-4-oxo-5-arylthio-substituted-6-methylthieno[2,3-d]pyrimidine antifolates.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 17 | 6.52 | 7.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL522363 | — | — | 1 | 7.40 |
| CHEMBL225180 | — | — | 1 | 7.38 |
| CHEMBL422395 | — | — | 1 | 7.07 |
| CHEMBL492836 | — | — | 1 | 6.96 |
| CHEMBL492838 | — | — | 1 | 6.96 |
| CHEMBL495124 | — | — | 1 | 6.92 |
| CHEMBL400485 | — | — | 1 | 6.89 |
| CHEMBL400364 | — | — | 1 | 6.82 |
| CHEMBL522517 | — | — | 1 | 6.58 |
| CHEMBL495125 | — | — | 1 | 6.55 |
| CHEMBL492839 | — | — | 1 | 6.00 |
| CHEMBL449543 | — | — | 1 | 5.96 |
| CHEMBL494067 | — | — | 1 | 5.92 |
| CHEMBL492837 | — | — | 1 | 5.34 |
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | 5.02 |
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | - |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL522363 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL225180 | — | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL422395 | — | IC50 | = | 85.0 | nM | 7.07 |
| CHEMBL492836 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL492838 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL495124 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL400485 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL400364 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL522517 | — | IC50 | = | 260.0 | nM | 6.58 |
| CHEMBL495125 | — | IC50 | = | 280.0 | nM | 6.55 |
| CHEMBL492839 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL449543 | — | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL494067 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL492837 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL225072 | PEMETREXED | IC50 | = | 9500.0 | nM | 5.02 |
| CHEMBL34259 | METHOTREXATE | IC50 | - | — | - | |
| CHEMBL22 | TRIMETHOPRIM | IC50 | - | — | - |