Assay Detail
Binding
CHEMBL821379
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibitory activity against wild-type dihydrofolate reductase (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 | 8.49 | 9.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL22901 | — | — | 1 | 9.52 |
| CHEMBL416373 | — | — | 1 | 9.40 |
| CHEMBL22139 | — | — | 1 | 9.40 |
| CHEMBL119188 | — | — | 1 | 9.22 |
| CHEMBL22811 | — | — | 1 | 9.22 |
| CHEMBL21395 | — | — | 1 | 9.10 |
| CHEMBL333779 | — | — | 1 | 9.00 |
| CHEMBL416376 | — | — | 1 | 8.89 |
| CHEMBL119189 | — | — | 1 | 8.80 |
| CHEMBL22138 | — | — | 1 | 8.77 |
| CHEMBL119086 | — | — | 1 | 8.74 |
| CHEMBL419231 | — | — | 1 | 8.74 |
| CHEMBL22327 | — | — | 1 | 8.74 |
| CHEMBL118652 | — | — | 1 | 8.74 |
| CHEMBL115483 | — | — | 1 | 8.70 |
| CHEMBL22146 | — | — | 1 | 8.66 |
| CHEMBL119669 | — | — | 1 | 8.66 |
| CHEMBL118202 | — | — | 1 | 8.64 |
| CHEMBL118581 | — | — | 1 | 8.60 |
| CHEMBL324775 | — | — | 1 | 8.51 |
| CHEMBL120123 | — | — | 1 | 8.47 |
| CHEMBL118602 | — | — | 1 | 8.46 |
| CHEMBL22137 | — | — | 1 | 8.43 |
| CHEMBL419055 | — | — | 1 | 8.37 |
| CHEMBL119224 | — | — | 1 | 8.28 |
| CHEMBL118668 | — | — | 1 | 8.23 |
| CHEMBL274031 | — | — | 1 | 8.20 |
| CHEMBL119568 | — | — | 1 | 8.19 |
| CHEMBL56146 | — | — | 1 | 8.19 |
| CHEMBL118425 | — | — | 1 | 8.15 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL22901 | — | Ki | = | 0.3 | nM | 9.52 |
| CHEMBL416373 | — | Ki | = | 0.4 | nM | 9.40 |
| CHEMBL22139 | — | Ki | = | 0.4 | nM | 9.40 |
| CHEMBL119188 | — | Ki | = | 0.6 | nM | 9.22 |
| CHEMBL22811 | — | Ki | = | 0.6 | nM | 9.22 |
| CHEMBL21395 | — | Ki | = | 0.8 | nM | 9.10 |
| CHEMBL333779 | — | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL416376 | — | Ki | = | 1.3 | nM | 8.89 |
| CHEMBL119189 | — | Ki | = | 1.6 | nM | 8.80 |
| CHEMBL22138 | — | Ki | = | 1.7 | nM | 8.77 |
| CHEMBL419231 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL118652 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL22327 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL119086 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL115483 | — | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL22146 | — | Ki | = | 2.2 | nM | 8.66 |
| CHEMBL119669 | — | Ki | = | 2.2 | nM | 8.66 |
| CHEMBL118202 | — | Ki | = | 2.3 | nM | 8.64 |
| CHEMBL118581 | — | Ki | = | 2.5 | nM | 8.60 |
| CHEMBL324775 | — | Ki | = | 3.1 | nM | 8.51 |
| CHEMBL120123 | — | Ki | = | 3.4 | nM | 8.47 |
| CHEMBL118602 | — | Ki | = | 3.5 | nM | 8.46 |
| CHEMBL22137 | — | Ki | = | 3.7 | nM | 8.43 |
| CHEMBL419055 | — | Ki | = | 4.3 | nM | 8.37 |
| CHEMBL119224 | — | Ki | = | 5.3 | nM | 8.28 |
| CHEMBL118668 | — | Ki | = | 5.9 | nM | 8.23 |
| CHEMBL274031 | — | Ki | = | 6.3 | nM | 8.20 |
| CHEMBL119568 | — | Ki | = | 6.5 | nM | 8.19 |
| CHEMBL56146 | — | Ki | = | 6.5 | nM | 8.19 |
| CHEMBL118425 | — | Ki | = | 7.0 | nM | 8.15 |
| CHEMBL291931 | — | Ki | = | 7.2 | nM | 8.14 |
| CHEMBL118870 | — | Ki | = | 8.6 | nM | 8.07 |
| CHEMBL279948 | — | Ki | = | 8.6 | nM | 8.07 |
| CHEMBL22 | TRIMETHOPRIM | Ki | = | 10.3 | nM | 7.99 |
| CHEMBL19633 | DIAVERIDINE | Ki | = | 11.5 | nM | 7.94 |
| CHEMBL326989 | — | Ki | = | 15.1 | nM | 7.82 |
| CHEMBL332013 | — | Ki | = | 15.4 | nM | 7.81 |
| CHEMBL30937 | — | Ki | = | 17.8 | nM | 7.75 |
| CHEMBL19023 | — | Ki | = | 23.5 | nM | 7.63 |
| CHEMBL325533 | — | Ki | = | 38.2 | nM | 7.42 |