Assay Detail
Binding
CHEMBL668412
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Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)
40
Total Activities
40
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Plasmodium falciparum |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Target
Bifunctional dihydrofolate reductase-thymidylate synthase (CHEMBL1939) ↗| Type | SINGLE PROTEIN |
| Organism | Plasmodium falciparum K1 |
Publication
Target guided synthesis of 5-benzyl-2,4-diamonopyrimidines: their antimalarial activities and binding affinities to wild type and mutant dihydrofolate reductases from Plasmodium falciparum.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 40 | 7.19 | 8.66 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL22901 | — | — | 1 | 8.66 |
| CHEMBL416376 | — | — | 1 | 8.28 |
| CHEMBL416373 | — | — | 1 | 8.25 |
| CHEMBL22139 | — | — | 1 | 8.25 |
| CHEMBL22811 | — | — | 1 | 8.06 |
| CHEMBL21395 | — | — | 1 | 8.01 |
| CHEMBL333779 | — | — | 1 | 7.97 |
| CHEMBL115483 | — | — | 1 | 7.43 |
| CHEMBL22327 | — | — | 1 | 7.36 |
| CHEMBL118202 | — | — | 1 | 7.33 |
| CHEMBL119189 | — | — | 1 | 7.33 |
| CHEMBL119188 | — | — | 1 | 7.32 |
| CHEMBL119086 | — | — | 1 | 7.31 |
| CHEMBL419231 | — | — | 1 | 7.28 |
| CHEMBL118668 | — | — | 1 | 7.24 |
| CHEMBL118602 | — | — | 1 | 7.22 |
| CHEMBL22138 | — | — | 1 | 7.22 |
| CHEMBL22146 | — | — | 1 | 7.22 |
| CHEMBL279948 | — | — | 1 | 7.10 |
| CHEMBL119224 | — | — | 1 | 7.09 |
| CHEMBL120123 | — | — | 1 | 7.05 |
| CHEMBL22137 | — | — | 1 | 7.00 |
| CHEMBL56146 | — | — | 1 | 7.00 |
| CHEMBL324775 | — | — | 1 | 6.99 |
| CHEMBL118425 | — | — | 1 | 6.97 |
| CHEMBL274031 | — | — | 1 | 6.95 |
| CHEMBL419055 | — | — | 1 | 6.93 |
| CHEMBL119669 | — | — | 1 | 6.87 |
| CHEMBL118870 | — | — | 1 | 6.86 |
| CHEMBL291931 | — | — | 1 | 6.84 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL22901 | — | Ki | = | 2.2 | nM | 8.66 |
| CHEMBL416376 | — | Ki | = | 5.2 | nM | 8.28 |
| CHEMBL22139 | — | Ki | = | 5.6 | nM | 8.25 |
| CHEMBL416373 | — | Ki | = | 5.6 | nM | 8.25 |
| CHEMBL22811 | — | Ki | = | 8.7 | nM | 8.06 |
| CHEMBL21395 | — | Ki | = | 9.7 | nM | 8.01 |
| CHEMBL333779 | — | Ki | = | 10.6 | nM | 7.97 |
| CHEMBL115483 | — | Ki | = | 37.1 | nM | 7.43 |
| CHEMBL22327 | — | Ki | = | 44.2 | nM | 7.36 |
| CHEMBL118202 | — | Ki | = | 46.9 | nM | 7.33 |
| CHEMBL119189 | — | Ki | = | 46.6 | nM | 7.33 |
| CHEMBL119188 | — | Ki | = | 47.7 | nM | 7.32 |
| CHEMBL119086 | — | Ki | = | 48.7 | nM | 7.31 |
| CHEMBL419231 | — | Ki | = | 52.1 | nM | 7.28 |
| CHEMBL118668 | — | Ki | = | 58.1 | nM | 7.24 |
| CHEMBL118602 | — | Ki | = | 60.1 | nM | 7.22 |
| CHEMBL22146 | — | Ki | = | 60.7 | nM | 7.22 |
| CHEMBL22138 | — | Ki | = | 60.2 | nM | 7.22 |
| CHEMBL279948 | — | Ki | = | 80.0 | nM | 7.10 |
| CHEMBL119224 | — | Ki | = | 81.7 | nM | 7.09 |
| CHEMBL120123 | — | Ki | = | 89.5 | nM | 7.05 |
| CHEMBL56146 | — | Ki | = | 101.0 | nM | 7.00 |
| CHEMBL22137 | — | Ki | = | 99.1 | nM | 7.00 |
| CHEMBL324775 | — | Ki | = | 103.5 | nM | 6.99 |
| CHEMBL118425 | — | Ki | = | 107.7 | nM | 6.97 |
| CHEMBL274031 | — | Ki | = | 113.5 | nM | 6.95 |
| CHEMBL419055 | — | Ki | = | 116.4 | nM | 6.93 |
| CHEMBL119669 | — | Ki | = | 134.5 | nM | 6.87 |
| CHEMBL118870 | — | Ki | = | 137.3 | nM | 6.86 |
| CHEMBL291931 | — | Ki | = | 143.4 | nM | 6.84 |
| CHEMBL118652 | — | Ki | = | 153.5 | nM | 6.81 |
| CHEMBL119568 | — | Ki | = | 169.9 | nM | 6.77 |
| CHEMBL332013 | — | Ki | = | 187.4 | nM | 6.73 |
| CHEMBL30937 | — | Ki | = | 196.3 | nM | 6.71 |
| CHEMBL118581 | — | Ki | = | 194.1 | nM | 6.71 |
| CHEMBL326989 | — | Ki | = | 211.5 | nM | 6.67 |
| CHEMBL19633 | DIAVERIDINE | Ki | = | 234.8 | nM | 6.63 |
| CHEMBL22 | TRIMETHOPRIM | Ki | = | 242.1 | nM | 6.62 |
| CHEMBL19023 | — | Ki | = | 464.1 | nM | 6.33 |
| CHEMBL325533 | — | Ki | = | 520.3 | nM | 6.28 |