Assay Detail
Binding
CHEMBL668414
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibitory activity against triple mutant dihydrofolate reductase (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 | 6.30 | 7.61 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL22901 | — | — | 1 | 7.61 |
| CHEMBL22811 | — | — | 1 | 7.32 |
| CHEMBL120123 | — | — | 1 | 7.18 |
| CHEMBL416373 | — | — | 1 | 6.98 |
| CHEMBL22139 | — | — | 1 | 6.98 |
| CHEMBL419231 | — | — | 1 | 6.84 |
| CHEMBL119086 | — | — | 1 | 6.81 |
| CHEMBL119224 | — | — | 1 | 6.79 |
| CHEMBL119188 | — | — | 1 | 6.78 |
| CHEMBL279948 | — | — | 1 | 6.76 |
| CHEMBL119669 | — | — | 1 | 6.60 |
| CHEMBL115483 | — | — | 1 | 6.59 |
| CHEMBL118425 | — | — | 1 | 6.58 |
| CHEMBL22137 | — | — | 1 | 6.56 |
| CHEMBL324775 | — | — | 1 | 6.53 |
| CHEMBL118202 | — | — | 1 | 6.50 |
| CHEMBL333779 | — | — | 1 | 6.43 |
| CHEMBL118652 | — | — | 1 | 6.37 |
| CHEMBL119568 | — | — | 1 | 6.33 |
| CHEMBL419055 | — | — | 1 | 6.33 |
| CHEMBL22138 | — | — | 1 | 6.31 |
| CHEMBL416376 | — | — | 1 | 6.29 |
| CHEMBL274031 | — | — | 1 | 6.29 |
| CHEMBL118870 | — | — | 1 | 6.27 |
| CHEMBL21395 | — | — | 1 | 6.24 |
| CHEMBL291931 | — | — | 1 | 6.20 |
| CHEMBL118581 | — | — | 1 | 6.11 |
| CHEMBL56146 | — | — | 1 | 6.00 |
| CHEMBL326989 | — | — | 1 | 5.96 |
| CHEMBL119189 | — | — | 1 | 5.93 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL22901 | — | Ki | = | 24.7 | nM | 7.61 |
| CHEMBL22811 | — | Ki | = | 47.6 | nM | 7.32 |
| CHEMBL120123 | — | Ki | = | 66.3 | nM | 7.18 |
| CHEMBL416373 | — | Ki | = | 105.6 | nM | 6.98 |
| CHEMBL22139 | — | Ki | = | 105.6 | nM | 6.98 |
| CHEMBL419231 | — | Ki | = | 144.4 | nM | 6.84 |
| CHEMBL119086 | — | Ki | = | 154.2 | nM | 6.81 |
| CHEMBL119224 | — | Ki | = | 161.2 | nM | 6.79 |
| CHEMBL119188 | — | Ki | = | 166.4 | nM | 6.78 |
| CHEMBL279948 | — | Ki | = | 174.6 | nM | 6.76 |
| CHEMBL119669 | — | Ki | = | 252.6 | nM | 6.60 |
| CHEMBL115483 | — | Ki | = | 256.9 | nM | 6.59 |
| CHEMBL118425 | — | Ki | = | 263.6 | nM | 6.58 |
| CHEMBL22137 | — | Ki | = | 273.4 | nM | 6.56 |
| CHEMBL324775 | — | Ki | = | 292.4 | nM | 6.53 |
| CHEMBL118202 | — | Ki | = | 313.7 | nM | 6.50 |
| CHEMBL333779 | — | Ki | = | 374.1 | nM | 6.43 |
| CHEMBL118652 | — | Ki | = | 424.8 | nM | 6.37 |
| CHEMBL119568 | — | Ki | = | 470.6 | nM | 6.33 |
| CHEMBL419055 | — | Ki | = | 466.8 | nM | 6.33 |
| CHEMBL22138 | — | Ki | = | 491.2 | nM | 6.31 |
| CHEMBL274031 | — | Ki | = | 515.4 | nM | 6.29 |
| CHEMBL416376 | — | Ki | = | 511.9 | nM | 6.29 |
| CHEMBL118870 | — | Ki | = | 539.5 | nM | 6.27 |
| CHEMBL21395 | — | Ki | = | 570.0 | nM | 6.24 |
| CHEMBL291931 | — | Ki | = | 629.8 | nM | 6.20 |
| CHEMBL118581 | — | Ki | = | 771.8 | nM | 6.11 |
| CHEMBL56146 | — | Ki | = | 994.0 | nM | 6.00 |
| CHEMBL326989 | — | Ki | = | 1091.3 | nM | 5.96 |
| CHEMBL119189 | — | Ki | = | 1162.5 | nM | 5.93 |
| CHEMBL325533 | — | Ki | = | 1364.3 | nM | 5.87 |
| CHEMBL22146 | — | Ki | = | 1974.1 | nM | 5.71 |
| CHEMBL30937 | — | Ki | = | 2208.4 | nM | 5.66 |
| CHEMBL19633 | DIAVERIDINE | Ki | = | 2646.8 | nM | 5.58 |
| CHEMBL118668 | — | Ki | = | 3044.8 | nM | 5.52 |
| CHEMBL22327 | — | Ki | = | 3100.2 | nM | 5.51 |
| CHEMBL332013 | — | Ki | = | 3541.8 | nM | 5.45 |
| CHEMBL118602 | — | Ki | = | 3737.7 | nM | 5.43 |
| CHEMBL19023 | — | Ki | = | 3957.8 | nM | 5.40 |
| CHEMBL22 | TRIMETHOPRIM | Ki | = | 5688.7 | nM | 5.25 |