Assay Detail
Binding
CHEMBL926353
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Inhibition of human recombinant DHFR
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Intermediate |
Publication
Design, synthesis, and biological evaluation of classical and nonclassical 2-amino-4-oxo-5-substituted-6-methylpyrrolo[3,2-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 19 | 5.95 | 7.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | 7.70 |
| CHEMBL252132 | — | — | 1 | 6.92 |
| CHEMBL389051 | — | — | 1 | 5.72 |
| CHEMBL225180 | — | — | 1 | 5.68 |
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | 5.18 |
| CHEMBL401073 | — | — | 1 | 4.48 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | - |
| CHEMBL400364 | — | — | 1 | - |
| CHEMBL400485 | — | — | 1 | - |
| CHEMBL429308 | — | — | 1 | - |
| CHEMBL400304 | — | — | 1 | - |
| CHEMBL252133 | — | — | 1 | - |
| CHEMBL446714 | — | — | 1 | - |
| CHEMBL252134 | — | — | 1 | - |
| CHEMBL252338 | — | — | 1 | - |
| CHEMBL253796 | — | — | 1 | - |
| CHEMBL253581 | — | — | 1 | - |
| CHEMBL253795 | — | — | 1 | - |
| CHEMBL401074 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL34259 | METHOTREXATE | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL252132 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL389051 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL225180 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL225072 | PEMETREXED | IC50 | = | 6600.0 | nM | 5.18 |
| CHEMBL401073 | — | IC50 | = | 33000.0 | nM | 4.48 |
| CHEMBL22 | TRIMETHOPRIM | IC50 | > | 340000.0 | nM | - |
| CHEMBL400364 | — | IC50 | > | 54000.0 | nM | - |
| CHEMBL400485 | — | IC50 | > | 62000.0 | nM | - |
| CHEMBL429308 | — | IC50 | > | 32000.0 | nM | - |
| CHEMBL400304 | — | IC50 | > | 39000.0 | nM | - |
| CHEMBL252133 | — | IC50 | > | 37000.0 | nM | - |
| CHEMBL446714 | — | IC50 | > | 37000.0 | nM | - |
| CHEMBL252134 | — | IC50 | > | 35000.0 | nM | - |
| CHEMBL252338 | — | IC50 | > | 35000.0 | nM | - |
| CHEMBL253796 | — | IC50 | > | 24000.0 | nM | - |
| CHEMBL253581 | — | IC50 | > | 35000.0 | nM | - |
| CHEMBL253795 | — | IC50 | > | 35000.0 | nM | - |
| CHEMBL401074 | — | IC50 | > | 31000.0 | nM | - |