Assay Detail
Binding
CHEMBL859608
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Inhibition of recombinant human TS
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
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 | 16 | 5.94 | 7.27 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL225180 | — | — | 1 | 7.27 |
| CHEMBL389051 | — | — | 1 | 7.14 |
| CHEMBL371860 | — | — | 1 | 7.05 |
| CHEMBL201941 | — | — | 1 | 6.64 |
| CHEMBL201617 | — | — | 1 | 6.62 |
| CHEMBL225071 | RALTITREXED | 4.0 | 1 | 6.42 |
| CHEMBL371666 | — | — | 1 | 6.00 |
| CHEMBL202176 | — | — | 1 | 5.96 |
| CHEMBL201618 | — | — | 1 | 5.58 |
| CHEMBL381723 | — | — | 1 | 5.57 |
| CHEMBL202337 | — | — | 1 | 5.25 |
| CHEMBL436761 | — | — | 1 | 5.25 |
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | 5.02 |
| CHEMBL383829 | — | — | 1 | 4.80 |
| CHEMBL202098 | — | — | 1 | 4.58 |
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL225180 | — | IC50 | = | 54.0 | nM | 7.27 |
| CHEMBL389051 | — | IC50 | = | 72.0 | nM | 7.14 |
| CHEMBL371860 | — | IC50 | = | 90.0 | nM | 7.05 |
| CHEMBL201941 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL201617 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL225071 | RALTITREXED | IC50 | = | 380.0 | nM | 6.42 |
| CHEMBL371666 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL202176 | — | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL201618 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL381723 | — | IC50 | = | 2700.0 | nM | 5.57 |
| CHEMBL202337 | — | IC50 | = | 5600.0 | nM | 5.25 |
| CHEMBL436761 | — | IC50 | = | 5600.0 | nM | 5.25 |
| CHEMBL225072 | PEMETREXED | IC50 | = | 9500.0 | nM | 5.02 |
| CHEMBL383829 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL202098 | — | IC50 | = | 26000.0 | nM | 4.58 |
| CHEMBL34259 | METHOTREXATE | IC50 | - | — | - |