Assay Detail
Binding
CHEMBL983757
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human dihydrofolate reductase
21
Total Activities
21
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
The effect of 5-alkyl modification on the biological activity of pyrrolo[2,3-d]pyrimidine containing classical and nonclassical antifolates as inhibitors of dihydrofolate reductase and as antitumor and/or antiopportunistic infection agents.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 21 | 5.27 | 7.66 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | 7.66 |
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | 5.82 |
| CHEMBL514219 | — | — | 1 | 5.58 |
| CHEMBL477789 | — | — | 1 | 5.52 |
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 5.22 |
| CHEMBL478403 | — | — | 1 | 4.80 |
| CHEMBL477566 | — | — | 1 | 4.57 |
| CHEMBL476744 | — | — | 1 | 4.55 |
| CHEMBL478404 | — | — | 1 | 4.52 |
| CHEMBL516891 | — | — | 1 | 4.48 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | - |
| CHEMBL477790 | — | — | 1 | - |
| CHEMBL477151 | — | — | 1 | - |
| CHEMBL476745 | — | — | 1 | - |
| CHEMBL515312 | — | — | 1 | - |
| CHEMBL478213 | — | — | 1 | - |
| CHEMBL478191 | — | — | 1 | - |
| CHEMBL478192 | — | — | 1 | - |
| CHEMBL477150 | — | — | 1 | - |
| CHEMBL476945 | — | — | 1 | - |
| CHEMBL516128 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL34259 | METHOTREXATE | IC50 | = | 22.0 | nM | 7.66 |
| CHEMBL225072 | PEMETREXED | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL514219 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL477789 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL36 | PYRIMETHAMINE | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL478403 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL477566 | — | IC50 | = | 27000.0 | nM | 4.57 |
| CHEMBL476744 | — | IC50 | = | 28000.0 | nM | 4.55 |
| CHEMBL478404 | — | IC50 | = | 30000.0 | nM | 4.52 |
| CHEMBL516891 | — | IC50 | = | 33000.0 | nM | 4.48 |
| CHEMBL22 | TRIMETHOPRIM | IC50 | = | 680000.0 | nM | - |
| CHEMBL477790 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL477151 | — | IC50 | > | 27000.0 | nM | - |
| CHEMBL476745 | — | IC50 | > | 26000.0 | nM | - |
| CHEMBL515312 | — | IC50 | > | 29000.0 | nM | - |
| CHEMBL478213 | — | IC50 | > | 15000.0 | nM | - |
| CHEMBL478191 | — | IC50 | > | 26000.0 | nM | - |
| CHEMBL478192 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL477150 | — | IC50 | > | 29000.0 | nM | - |
| CHEMBL476945 | — | IC50 | > | 29000.0 | nM | - |
| CHEMBL516128 | — | IC50 | > | 28000.0 | nM | - |