Assay Detail
Binding
CHEMBL667002
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Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea
40
Total Activities
40
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Neisseria gonorrhoeae |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
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 | 40 | 6.82 | 7.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL23746 | — | — | 1 | 7.70 |
| CHEMBL118480 | — | — | 1 | 7.55 |
| CHEMBL120366 | — | — | 1 | 7.55 |
| CHEMBL440946 | — | — | 1 | 7.54 |
| CHEMBL334021 | — | — | 1 | 7.37 |
| CHEMBL279455 | — | — | 1 | 7.36 |
| CHEMBL432987 | — | — | 1 | 7.35 |
| CHEMBL116993 | — | — | 1 | 7.32 |
| CHEMBL25888 | — | — | 1 | 7.31 |
| CHEMBL24374 | — | — | 1 | 7.24 |
| CHEMBL26337 | — | — | 1 | 7.22 |
| CHEMBL277176 | — | — | 1 | 7.21 |
| CHEMBL280374 | — | — | 1 | 7.20 |
| CHEMBL118877 | — | — | 1 | 7.19 |
| CHEMBL418865 | — | — | 1 | 7.12 |
| CHEMBL333424 | — | — | 1 | 7.03 |
| CHEMBL333696 | — | — | 1 | 6.97 |
| CHEMBL25817 | — | — | 1 | 6.92 |
| CHEMBL440334 | — | — | 1 | 6.88 |
| CHEMBL116650 | — | — | 1 | 6.86 |
| CHEMBL23250 | — | — | 1 | 6.81 |
| CHEMBL116183 | — | — | 1 | 6.66 |
| CHEMBL24155 | — | — | 1 | 6.62 |
| CHEMBL23384 | — | — | 1 | 6.59 |
| CHEMBL118237 | — | — | 1 | 6.58 |
| CHEMBL23447 | — | — | 1 | 6.51 |
| CHEMBL118367 | — | — | 1 | 6.50 |
| CHEMBL120807 | — | — | 1 | 6.50 |
| CHEMBL1181 | 4-HYDROXYTRIMETHOPRIM | — | 1 | 6.48 |
| CHEMBL24430 | — | — | 1 | 6.46 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL23746 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL118480 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL120366 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL440946 | — | IC50 | = | 29.0 | nM | 7.54 |
| CHEMBL334021 | — | IC50 | = | 43.0 | nM | 7.37 |
| CHEMBL279455 | — | IC50 | = | 44.0 | nM | 7.36 |
| CHEMBL432987 | — | IC50 | = | 45.0 | nM | 7.35 |
| CHEMBL116993 | — | IC50 | = | 48.0 | nM | 7.32 |
| CHEMBL25888 | — | IC50 | = | 49.0 | nM | 7.31 |
| CHEMBL24374 | — | IC50 | = | 58.0 | nM | 7.24 |
| CHEMBL26337 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL277176 | — | IC50 | = | 61.0 | nM | 7.21 |
| CHEMBL280374 | — | IC50 | = | 63.0 | nM | 7.20 |
| CHEMBL118877 | — | IC50 | = | 64.0 | nM | 7.19 |
| CHEMBL418865 | — | IC50 | = | 75.0 | nM | 7.12 |
| CHEMBL333424 | — | IC50 | = | 93.0 | nM | 7.03 |
| CHEMBL333696 | — | IC50 | = | 107.0 | nM | 6.97 |
| CHEMBL25817 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL440334 | — | IC50 | = | 132.0 | nM | 6.88 |
| CHEMBL116650 | — | IC50 | = | 137.0 | nM | 6.86 |
| CHEMBL23250 | — | IC50 | = | 155.0 | nM | 6.81 |
| CHEMBL116183 | — | IC50 | = | 220.0 | nM | 6.66 |
| CHEMBL24155 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL23384 | — | IC50 | = | 259.0 | nM | 6.59 |
| CHEMBL118237 | — | IC50 | = | 260.0 | nM | 6.58 |
| CHEMBL23447 | — | IC50 | = | 310.0 | nM | 6.51 |
| CHEMBL118367 | — | IC50 | = | 319.0 | nM | 6.50 |
| CHEMBL120807 | — | IC50 | = | 318.0 | nM | 6.50 |
| CHEMBL1181 | 4-HYDROXYTRIMETHOPRIM | IC50 | = | 330.0 | nM | 6.48 |
| CHEMBL24430 | — | IC50 | = | 350.0 | nM | 6.46 |
| CHEMBL332481 | — | IC50 | = | 356.0 | nM | 6.45 |
| CHEMBL120920 | — | IC50 | = | 390.0 | nM | 6.41 |
| CHEMBL22 | TRIMETHOPRIM | IC50 | = | 450.0 | nM | 6.35 |
| CHEMBL118597 | — | IC50 | = | 485.0 | nM | 6.31 |
| CHEMBL287553 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL417833 | — | IC50 | = | 526.0 | nM | 6.28 |
| CHEMBL19633 | DIAVERIDINE | IC50 | = | 530.0 | nM | 6.28 |
| CHEMBL119378 | — | IC50 | = | 560.0 | nM | 6.25 |
| CHEMBL122351 | ADITEREN | IC50 | = | 810.0 | nM | 6.09 |
| CHEMBL120368 | — | IC50 | = | 3500.0 | nM | 5.46 |