Assay Detail
Binding
CHEMBL983764
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Inhibition of Escherichia coli dihydrofolate reductase
21
Total Activities
21
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 |
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 | 6.43 | 8.18 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | 8.18 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | 7.70 |
| CHEMBL516128 | — | — | 1 | 6.96 |
| CHEMBL477566 | — | — | 1 | 6.96 |
| CHEMBL478403 | — | — | 1 | 6.89 |
| CHEMBL477151 | — | — | 1 | 6.85 |
| CHEMBL478404 | — | — | 1 | 6.82 |
| CHEMBL476945 | — | — | 1 | 6.82 |
| CHEMBL477150 | — | — | 1 | 6.54 |
| CHEMBL476745 | — | — | 1 | 6.30 |
| CHEMBL478213 | — | — | 1 | 6.22 |
| CHEMBL477790 | — | — | 1 | 6.21 |
| CHEMBL514219 | — | — | 1 | 5.89 |
| CHEMBL516891 | — | — | 1 | 5.89 |
| CHEMBL476744 | — | — | 1 | 5.85 |
| CHEMBL515312 | — | — | 1 | 5.82 |
| CHEMBL477789 | — | — | 1 | 5.82 |
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 5.70 |
| CHEMBL478191 | — | — | 1 | 5.68 |
| CHEMBL478192 | — | — | 1 | 5.52 |
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL34259 | METHOTREXATE | IC50 | = | 6.6 | nM | 8.18 |
| CHEMBL22 | TRIMETHOPRIM | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL516128 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL477566 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL478403 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL477151 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL478404 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL476945 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL477150 | — | IC50 | = | 290.0 | nM | 6.54 |
| CHEMBL476745 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL478213 | — | IC50 | = | 600.0 | nM | 6.22 |
| CHEMBL477790 | — | IC50 | = | 610.0 | nM | 6.21 |
| CHEMBL514219 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL516891 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL476744 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL515312 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL477789 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL36 | PYRIMETHAMINE | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL478191 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL478192 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL225072 | PEMETREXED | IC50 | = | 230000.0 | nM | - |