Assay Detail
Binding
CHEMBL668117
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Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli
45
Total Activities
45
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Escherichia coli |
| Confidence | 9 — Direct single protein target |
| Curated By | Intermediate |
Publication
2,4-Diamino-5-benzylpyrimidines as antibacterial agents. 7. Analysis of the effect of 3,5-dialkyl substituent size and shape on binding to four different dihydrofolate reductase enzymes.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 45 | 7.37 | 8.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL116183 | — | — | 1 | 8.52 |
| CHEMBL333696 | — | — | 1 | 8.49 |
| CHEMBL25888 | — | — | 1 | 8.22 |
| CHEMBL23746 | — | — | 1 | 8.15 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | 8.15 |
| CHEMBL120366 | — | — | 1 | 8.00 |
| CHEMBL122351 | ADITEREN | 2.0 | 1 | 8.00 |
| CHEMBL118480 | — | — | 1 | 8.00 |
| CHEMBL1181 | 4-HYDROXYTRIMETHOPRIM | — | 1 | 7.96 |
| CHEMBL279455 | — | — | 1 | 7.92 |
| CHEMBL23250 | — | — | 1 | 7.85 |
| CHEMBL116993 | — | — | 1 | 7.82 |
| CHEMBL25817 | — | — | 1 | 7.80 |
| CHEMBL432987 | — | — | 1 | 7.80 |
| CHEMBL440334 | — | — | 1 | 7.77 |
| CHEMBL116650 | — | — | 1 | 7.77 |
| CHEMBL24430 | — | — | 1 | 7.72 |
| CHEMBL332481 | — | — | 1 | 7.70 |
| CHEMBL418865 | — | — | 1 | 7.68 |
| CHEMBL333424 | — | — | 1 | 7.55 |
| CHEMBL334021 | — | — | 1 | 7.54 |
| CHEMBL118877 | — | — | 1 | 7.50 |
| CHEMBL440946 | — | — | 1 | 7.50 |
| CHEMBL26337 | — | — | 1 | 7.36 |
| CHEMBL119378 | — | — | 1 | 7.32 |
| CHEMBL23447 | — | — | 1 | 7.28 |
| CHEMBL19633 | DIAVERIDINE | 2.0 | 1 | 7.21 |
| CHEMBL59369 | — | — | 1 | 7.18 |
| CHEMBL417833 | — | — | 1 | 7.16 |
| CHEMBL120920 | — | — | 1 | 7.05 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL116183 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL333696 | — | IC50 | = | 3.2 | nM | 8.49 |
| CHEMBL25888 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL23746 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL22 | TRIMETHOPRIM | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL120366 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL122351 | ADITEREN | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL118480 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL1181 | 4-HYDROXYTRIMETHOPRIM | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL279455 | — | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL23250 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL116993 | — | IC50 | = | 15.0 | nM | 7.82 |
| CHEMBL25817 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL432987 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL116650 | — | IC50 | = | 17.0 | nM | 7.77 |
| CHEMBL440334 | — | IC50 | = | 17.0 | nM | 7.77 |
| CHEMBL24430 | — | IC50 | = | 19.0 | nM | 7.72 |
| CHEMBL332481 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL418865 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL333424 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL334021 | — | IC50 | = | 29.0 | nM | 7.54 |
| CHEMBL440946 | — | IC50 | = | 32.0 | nM | 7.50 |
| CHEMBL118877 | — | IC50 | = | 32.0 | nM | 7.50 |
| CHEMBL26337 | — | IC50 | = | 44.0 | nM | 7.36 |
| CHEMBL119378 | — | IC50 | = | 48.0 | nM | 7.32 |
| CHEMBL23447 | — | IC50 | = | 53.0 | nM | 7.28 |
| CHEMBL19633 | DIAVERIDINE | IC50 | = | 62.0 | nM | 7.21 |
| CHEMBL59369 | — | IC50 | = | 66.0 | nM | 7.18 |
| CHEMBL417833 | — | IC50 | = | 70.0 | nM | 7.16 |
| CHEMBL120920 | — | IC50 | = | 90.0 | nM | 7.05 |
| CHEMBL23384 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL120807 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL116828 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL122468 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL118367 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL287553 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL280374 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL277176 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL118597 | — | IC50 | = | 180.0 | nM | 6.75 |
| CHEMBL24155 | — | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL119891 | — | IC50 | = | 310.0 | nM | 6.51 |
| CHEMBL332518 | — | IC50 | = | 380.0 | nM | 6.42 |
| CHEMBL24374 | — | IC50 | = | 440.0 | nM | 6.36 |
| CHEMBL118237 | — | IC50 | = | 640.0 | nM | 6.19 |
| CHEMBL120368 | — | IC50 | = | 1750.0 | nM | 5.76 |