Assay Detail
Binding
CHEMBL668411
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of the wild-type dihydrofolate reductase (DHFR)
43
Total Activities
43
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
Development of 2,4-diaminopyrimidines as antimalarials based on inhibition of the S108N and C59R+S108N mutants of dihydrofolate reductase from pyrimethamine-resistant Plasmodium falciparum.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 43 | 8.79 | 9.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL416552 | — | — | 1 | 9.52 |
| CHEMBL22405 | — | — | 1 | 9.52 |
| CHEMBL22901 | — | — | 1 | 9.52 |
| CHEMBL282275 | — | — | 1 | 9.52 |
| CHEMBL22139 | — | — | 1 | 9.40 |
| CHEMBL22403 | — | — | 1 | 9.40 |
| CHEMBL21778 | — | — | 1 | 9.40 |
| CHEMBL416373 | — | — | 1 | 9.40 |
| CHEMBL21494 | — | — | 1 | 9.30 |
| CHEMBL22693 | — | — | 1 | 9.30 |
| CHEMBL21407 | — | — | 1 | 9.22 |
| CHEMBL21885 | — | — | 1 | 9.22 |
| CHEMBL22811 | — | — | 1 | 9.22 |
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 9.22 |
| CHEMBL21691 | — | — | 1 | 9.15 |
| CHEMBL278847 | — | — | 1 | 9.10 |
| CHEMBL281412 | — | — | 1 | 9.05 |
| CHEMBL21395 | — | — | 1 | 9.05 |
| CHEMBL25112 | — | — | 1 | 9.05 |
| CHEMBL21799 | ETOPRINE | -1.0 | 1 | 9.00 |
| CHEMBL22129 | — | — | 1 | 9.00 |
| CHEMBL434771 | — | — | 1 | 8.96 |
| CHEMBL21921 | — | — | 1 | 8.92 |
| CHEMBL416376 | — | — | 1 | 8.89 |
| CHEMBL22138 | — | — | 1 | 8.77 |
| CHEMBL22327 | — | — | 1 | 8.74 |
| CHEMBL22039 | — | — | 1 | 8.72 |
| CHEMBL21357 | — | — | 1 | 8.70 |
| CHEMBL278813 | — | — | 1 | 8.66 |
| CHEMBL22146 | — | — | 1 | 8.66 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL416552 | — | Ki | = | 0.3 | nM | 9.52 |
| CHEMBL282275 | — | Ki | = | 0.3 | nM | 9.52 |
| CHEMBL22901 | — | Ki | = | 0.3 | nM | 9.52 |
| CHEMBL22405 | — | Ki | = | 0.3 | nM | 9.52 |
| CHEMBL22139 | — | Ki | = | 0.4 | nM | 9.40 |
| CHEMBL22403 | — | Ki | = | 0.4 | nM | 9.40 |
| CHEMBL21778 | — | Ki | = | 0.4 | nM | 9.40 |
| CHEMBL416373 | — | Ki | = | 0.4 | nM | 9.40 |
| CHEMBL21494 | — | Ki | = | 0.5 | nM | 9.30 |
| CHEMBL22693 | — | Ki | = | 0.5 | nM | 9.30 |
| CHEMBL22811 | — | Ki | = | 0.6 | nM | 9.22 |
| CHEMBL36 | PYRIMETHAMINE | Ki | = | 0.6 | nM | 9.22 |
| CHEMBL21885 | — | Ki | = | 0.6 | nM | 9.22 |
| CHEMBL21407 | — | Ki | = | 0.6 | nM | 9.22 |
| CHEMBL21691 | — | Ki | = | 0.7 | nM | 9.15 |
| CHEMBL278847 | — | Ki | = | 0.8 | nM | 9.10 |
| CHEMBL281412 | — | Ki | = | 0.9 | nM | 9.05 |
| CHEMBL21395 | — | Ki | = | 0.9 | nM | 9.05 |
| CHEMBL25112 | — | Ki | = | 0.9 | nM | 9.05 |
| CHEMBL21799 | ETOPRINE | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL22129 | — | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL434771 | — | Ki | = | 1.1 | nM | 8.96 |
| CHEMBL21921 | — | Ki | = | 1.2 | nM | 8.92 |
| CHEMBL416376 | — | Ki | = | 1.3 | nM | 8.89 |
| CHEMBL22138 | — | Ki | = | 1.7 | nM | 8.77 |
| CHEMBL22327 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL22039 | — | Ki | = | 1.9 | nM | 8.72 |
| CHEMBL21357 | — | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL278813 | — | Ki | = | 2.2 | nM | 8.66 |
| CHEMBL22146 | — | Ki | = | 2.2 | nM | 8.66 |
| CHEMBL22148 | — | Ki | = | 2.3 | nM | 8.64 |
| CHEMBL279492 | — | Ki | = | 2.4 | nM | 8.62 |
| CHEMBL22137 | — | Ki | = | 3.7 | nM | 8.43 |
| CHEMBL279509 | — | Ki | = | 4.2 | nM | 8.38 |
| CHEMBL21414 | — | Ki | = | 6.3 | nM | 8.20 |
| CHEMBL22271 | — | Ki | = | 7.0 | nM | 8.15 |
| CHEMBL279948 | — | Ki | = | 8.6 | nM | 8.07 |
| CHEMBL22 | TRIMETHOPRIM | Ki | = | 10.3 | nM | 7.99 |
| CHEMBL21408 | — | Ki | = | 10.9 | nM | 7.96 |
| CHEMBL280410 | — | Ki | = | 12.1 | nM | 7.92 |
| CHEMBL22357 | — | Ki | = | 12.6 | nM | 7.90 |
| CHEMBL21690 | — | Ki | = | 41.9 | nM | 7.38 |
| CHEMBL279986 | — | Ki | = | 188.0 | nM | 6.73 |