Assay Detail
Binding
CHEMBL668413
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Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L 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 | 6.06 | 7.12 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL416376 | — | — | 1 | 7.12 |
| CHEMBL120123 | — | — | 1 | 7.03 |
| CHEMBL22901 | — | — | 1 | 6.92 |
| CHEMBL22811 | — | — | 1 | 6.91 |
| CHEMBL22137 | — | — | 1 | 6.69 |
| CHEMBL279948 | — | — | 1 | 6.62 |
| CHEMBL416373 | — | — | 1 | 6.59 |
| CHEMBL22139 | — | — | 1 | 6.59 |
| CHEMBL21395 | — | — | 1 | 6.37 |
| CHEMBL119669 | — | — | 1 | 6.35 |
| CHEMBL324775 | — | — | 1 | 6.35 |
| CHEMBL274031 | — | — | 1 | 6.34 |
| CHEMBL333779 | — | — | 1 | 6.28 |
| CHEMBL115483 | — | — | 1 | 6.22 |
| CHEMBL119224 | — | — | 1 | 6.17 |
| CHEMBL119086 | — | — | 1 | 6.16 |
| CHEMBL419055 | — | — | 1 | 6.16 |
| CHEMBL118602 | — | — | 1 | 6.13 |
| CHEMBL119188 | — | — | 1 | 6.11 |
| CHEMBL118668 | — | — | 1 | 6.10 |
| CHEMBL119189 | — | — | 1 | 6.04 |
| CHEMBL419231 | — | — | 1 | 6.04 |
| CHEMBL118870 | — | — | 1 | 6.04 |
| CHEMBL118202 | — | — | 1 | 6.03 |
| CHEMBL118581 | — | — | 1 | 5.99 |
| CHEMBL291931 | — | — | 1 | 5.95 |
| CHEMBL22327 | — | — | 1 | 5.95 |
| CHEMBL30937 | — | — | 1 | 5.86 |
| CHEMBL22146 | — | — | 1 | 5.86 |
| CHEMBL326989 | — | — | 1 | 5.82 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL416376 | — | Ki | = | 76.5 | nM | 7.12 |
| CHEMBL120123 | — | Ki | = | 93.4 | nM | 7.03 |
| CHEMBL22901 | — | Ki | = | 119.3 | nM | 6.92 |
| CHEMBL22811 | — | Ki | = | 124.0 | nM | 6.91 |
| CHEMBL22137 | — | Ki | = | 204.7 | nM | 6.69 |
| CHEMBL279948 | — | Ki | = | 241.0 | nM | 6.62 |
| CHEMBL416373 | — | Ki | = | 258.6 | nM | 6.59 |
| CHEMBL22139 | — | Ki | = | 258.6 | nM | 6.59 |
| CHEMBL21395 | — | Ki | = | 431.4 | nM | 6.37 |
| CHEMBL119669 | — | Ki | = | 444.2 | nM | 6.35 |
| CHEMBL324775 | — | Ki | = | 445.1 | nM | 6.35 |
| CHEMBL274031 | — | Ki | = | 455.5 | nM | 6.34 |
| CHEMBL333779 | — | Ki | = | 525.3 | nM | 6.28 |
| CHEMBL115483 | — | Ki | = | 605.8 | nM | 6.22 |
| CHEMBL119224 | — | Ki | = | 671.4 | nM | 6.17 |
| CHEMBL119086 | — | Ki | = | 693.1 | nM | 6.16 |
| CHEMBL419055 | — | Ki | = | 697.6 | nM | 6.16 |
| CHEMBL118602 | — | Ki | = | 732.5 | nM | 6.13 |
| CHEMBL119188 | — | Ki | = | 770.1 | nM | 6.11 |
| CHEMBL118668 | — | Ki | = | 801.4 | nM | 6.10 |
| CHEMBL119189 | — | Ki | = | 901.7 | nM | 6.04 |
| CHEMBL118870 | — | Ki | = | 914.6 | nM | 6.04 |
| CHEMBL419231 | — | Ki | = | 919.6 | nM | 6.04 |
| CHEMBL118202 | — | Ki | = | 937.4 | nM | 6.03 |
| CHEMBL118581 | — | Ki | = | 1033.3 | nM | 5.99 |
| CHEMBL291931 | — | Ki | = | 1129.6 | nM | 5.95 |
| CHEMBL22327 | — | Ki | = | 1122.8 | nM | 5.95 |
| CHEMBL30937 | — | Ki | = | 1380.0 | nM | 5.86 |
| CHEMBL22146 | — | Ki | = | 1375.7 | nM | 5.86 |
| CHEMBL326989 | — | Ki | = | 1518.0 | nM | 5.82 |
| CHEMBL118425 | — | Ki | = | 1589.0 | nM | 5.80 |
| CHEMBL325533 | — | Ki | = | 1634.3 | nM | 5.79 |
| CHEMBL118652 | — | Ki | = | 2191.7 | nM | 5.66 |
| CHEMBL119568 | — | Ki | = | 2261.0 | nM | 5.65 |
| CHEMBL22138 | — | Ki | = | 2454.0 | nM | 5.61 |
| CHEMBL56146 | — | Ki | = | 4636.7 | nM | 5.33 |
| CHEMBL22 | TRIMETHOPRIM | Ki | = | 6664.5 | nM | 5.18 |
| CHEMBL332013 | — | Ki | = | 11817.9 | nM | 4.93 |
| CHEMBL19633 | DIAVERIDINE | Ki | = | 13858.0 | nM | 4.86 |
| CHEMBL19023 | — | Ki | = | 20491.0 | nM | 4.69 |