Assay Detail
Binding
CHEMBL668409
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Inhibition of the C59R+S108N mutant of 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 | 7.59 | 9.15 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL416552 | — | — | 1 | 9.15 |
| CHEMBL278847 | — | — | 1 | 8.85 |
| CHEMBL22403 | — | — | 1 | 8.72 |
| CHEMBL22901 | — | — | 1 | 8.66 |
| CHEMBL22693 | — | — | 1 | 8.62 |
| CHEMBL21494 | — | — | 1 | 8.55 |
| CHEMBL22039 | — | — | 1 | 8.51 |
| CHEMBL22139 | — | — | 1 | 8.46 |
| CHEMBL21921 | — | — | 1 | 8.38 |
| CHEMBL416376 | — | — | 1 | 8.28 |
| CHEMBL21407 | — | — | 1 | 8.26 |
| CHEMBL416373 | — | — | 1 | 8.25 |
| CHEMBL278813 | — | — | 1 | 8.22 |
| CHEMBL22148 | — | — | 1 | 8.06 |
| CHEMBL22811 | — | — | 1 | 8.06 |
| CHEMBL21395 | — | — | 1 | 8.01 |
| CHEMBL21799 | ETOPRINE | -1.0 | 1 | 7.90 |
| CHEMBL21778 | — | — | 1 | 7.83 |
| CHEMBL21691 | — | — | 1 | 7.63 |
| CHEMBL22405 | — | — | 1 | 7.56 |
| CHEMBL21414 | — | — | 1 | 7.50 |
| CHEMBL434771 | — | — | 1 | 7.46 |
| CHEMBL21408 | — | — | 1 | 7.43 |
| CHEMBL25112 | — | — | 1 | 7.41 |
| CHEMBL22129 | — | — | 1 | 7.37 |
| CHEMBL22327 | — | — | 1 | 7.36 |
| CHEMBL282275 | — | — | 1 | 7.35 |
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 7.27 |
| CHEMBL22138 | — | — | 1 | 7.22 |
| CHEMBL22146 | — | — | 1 | 7.22 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL416552 | — | Ki | = | 0.7 | nM | 9.15 |
| CHEMBL278847 | — | Ki | = | 1.4 | nM | 8.85 |
| CHEMBL22403 | — | Ki | = | 1.9 | nM | 8.72 |
| CHEMBL22901 | — | Ki | = | 2.2 | nM | 8.66 |
| CHEMBL22693 | — | Ki | = | 2.4 | nM | 8.62 |
| CHEMBL21494 | — | Ki | = | 2.8 | nM | 8.55 |
| CHEMBL22039 | — | Ki | = | 3.1 | nM | 8.51 |
| CHEMBL22139 | — | Ki | = | 3.5 | nM | 8.46 |
| CHEMBL21921 | — | Ki | = | 4.2 | nM | 8.38 |
| CHEMBL416376 | — | Ki | = | 5.2 | nM | 8.28 |
| CHEMBL21407 | — | Ki | = | 5.5 | nM | 8.26 |
| CHEMBL416373 | — | Ki | = | 5.6 | nM | 8.25 |
| CHEMBL278813 | — | Ki | = | 6.0 | nM | 8.22 |
| CHEMBL22148 | — | Ki | = | 8.7 | nM | 8.06 |
| CHEMBL22811 | — | Ki | = | 8.7 | nM | 8.06 |
| CHEMBL21395 | — | Ki | = | 9.7 | nM | 8.01 |
| CHEMBL21799 | ETOPRINE | Ki | = | 12.6 | nM | 7.90 |
| CHEMBL21778 | — | Ki | = | 14.7 | nM | 7.83 |
| CHEMBL21691 | — | Ki | = | 23.3 | nM | 7.63 |
| CHEMBL22405 | — | Ki | = | 27.4 | nM | 7.56 |
| CHEMBL21414 | — | Ki | = | 31.6 | nM | 7.50 |
| CHEMBL434771 | — | Ki | = | 34.6 | nM | 7.46 |
| CHEMBL21408 | — | Ki | = | 36.7 | nM | 7.43 |
| CHEMBL25112 | — | Ki | = | 39.1 | nM | 7.41 |
| CHEMBL22129 | — | Ki | = | 42.3 | nM | 7.37 |
| CHEMBL22327 | — | Ki | = | 44.2 | nM | 7.36 |
| CHEMBL282275 | — | Ki | = | 44.3 | nM | 7.35 |
| CHEMBL36 | PYRIMETHAMINE | Ki | = | 53.9 | nM | 7.27 |
| CHEMBL22138 | — | Ki | = | 60.2 | nM | 7.22 |
| CHEMBL22146 | — | Ki | = | 60.7 | nM | 7.22 |
| CHEMBL279509 | — | Ki | = | 71.9 | nM | 7.14 |
| CHEMBL21690 | — | Ki | = | 76.2 | nM | 7.12 |
| CHEMBL279948 | — | Ki | = | 80.0 | nM | 7.10 |
| CHEMBL281412 | — | Ki | = | 86.0 | nM | 7.07 |
| CHEMBL22137 | — | Ki | = | 99.1 | nM | 7.00 |
| CHEMBL21885 | — | Ki | = | 126.9 | nM | 6.90 |
| CHEMBL21357 | — | Ki | = | 142.0 | nM | 6.85 |
| CHEMBL22 | TRIMETHOPRIM | Ki | = | 242.1 | nM | 6.62 |
| CHEMBL280410 | — | Ki | = | 502.8 | nM | 6.30 |
| CHEMBL22271 | — | Ki | = | 534.5 | nM | 6.27 |
| CHEMBL279492 | — | Ki | = | 555.8 | nM | 6.25 |
| CHEMBL279986 | — | Ki | = | 730.1 | nM | 6.14 |
| CHEMBL22357 | — | Ki | = | 1141.3 | nM | 5.94 |