Assay Detail
Binding
CHEMBL668410
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Inhibition of the 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 | 7.79 | 9.05 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL22693 | — | — | 1 | 9.05 |
| CHEMBL416552 | — | — | 1 | 8.92 |
| CHEMBL22139 | — | — | 1 | 8.80 |
| CHEMBL278847 | — | — | 1 | 8.80 |
| CHEMBL416373 | — | — | 1 | 8.77 |
| CHEMBL21494 | — | — | 1 | 8.77 |
| CHEMBL22901 | — | — | 1 | 8.74 |
| CHEMBL21407 | — | — | 1 | 8.74 |
| CHEMBL22403 | — | — | 1 | 8.74 |
| CHEMBL21921 | — | — | 1 | 8.52 |
| CHEMBL22039 | — | — | 1 | 8.49 |
| CHEMBL416376 | — | — | 1 | 8.48 |
| CHEMBL278813 | — | — | 1 | 8.40 |
| CHEMBL22148 | — | — | 1 | 8.35 |
| CHEMBL22811 | — | — | 1 | 8.21 |
| CHEMBL21395 | — | — | 1 | 8.15 |
| CHEMBL21799 | ETOPRINE | -1.0 | 1 | 8.05 |
| CHEMBL21778 | — | — | 1 | 7.97 |
| CHEMBL21691 | — | — | 1 | 7.86 |
| CHEMBL22138 | — | — | 1 | 7.84 |
| CHEMBL22405 | — | — | 1 | 7.77 |
| CHEMBL434771 | — | — | 1 | 7.76 |
| CHEMBL22129 | — | — | 1 | 7.68 |
| CHEMBL25112 | — | — | 1 | 7.63 |
| CHEMBL21408 | — | — | 1 | 7.59 |
| CHEMBL22327 | — | — | 1 | 7.58 |
| CHEMBL21414 | — | — | 1 | 7.58 |
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 7.54 |
| CHEMBL282275 | — | — | 1 | 7.50 |
| CHEMBL22146 | — | — | 1 | 7.46 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL22693 | — | Ki | = | 0.9 | nM | 9.05 |
| CHEMBL416552 | — | Ki | = | 1.2 | nM | 8.92 |
| CHEMBL278847 | — | Ki | = | 1.6 | nM | 8.80 |
| CHEMBL22139 | — | Ki | = | 1.6 | nM | 8.80 |
| CHEMBL416373 | — | Ki | = | 1.7 | nM | 8.77 |
| CHEMBL21494 | — | Ki | = | 1.7 | nM | 8.77 |
| CHEMBL22901 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL21407 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL22403 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL21921 | — | Ki | = | 3.0 | nM | 8.52 |
| CHEMBL22039 | — | Ki | = | 3.2 | nM | 8.49 |
| CHEMBL416376 | — | Ki | = | 3.3 | nM | 8.48 |
| CHEMBL278813 | — | Ki | = | 4.0 | nM | 8.40 |
| CHEMBL22148 | — | Ki | = | 4.5 | nM | 8.35 |
| CHEMBL22811 | — | Ki | = | 6.2 | nM | 8.21 |
| CHEMBL21395 | — | Ki | = | 7.1 | nM | 8.15 |
| CHEMBL21799 | ETOPRINE | Ki | = | 9.0 | nM | 8.05 |
| CHEMBL21778 | — | Ki | = | 10.6 | nM | 7.97 |
| CHEMBL21691 | — | Ki | = | 13.9 | nM | 7.86 |
| CHEMBL22138 | — | Ki | = | 14.5 | nM | 7.84 |
| CHEMBL22405 | — | Ki | = | 16.9 | nM | 7.77 |
| CHEMBL434771 | — | Ki | = | 17.2 | nM | 7.76 |
| CHEMBL22129 | — | Ki | = | 20.9 | nM | 7.68 |
| CHEMBL25112 | — | Ki | = | 23.5 | nM | 7.63 |
| CHEMBL21408 | — | Ki | = | 25.6 | nM | 7.59 |
| CHEMBL22327 | — | Ki | = | 26.6 | nM | 7.58 |
| CHEMBL21414 | — | Ki | = | 26.3 | nM | 7.58 |
| CHEMBL36 | PYRIMETHAMINE | Ki | = | 28.6 | nM | 7.54 |
| CHEMBL282275 | — | Ki | = | 31.5 | nM | 7.50 |
| CHEMBL22146 | — | Ki | = | 34.9 | nM | 7.46 |
| CHEMBL281412 | — | Ki | = | 39.0 | nM | 7.41 |
| CHEMBL22137 | — | Ki | = | 46.4 | nM | 7.33 |
| CHEMBL279948 | — | Ki | = | 51.0 | nM | 7.29 |
| CHEMBL279509 | — | Ki | = | 61.9 | nM | 7.21 |
| CHEMBL21885 | — | Ki | = | 66.2 | nM | 7.18 |
| CHEMBL21690 | — | Ki | = | 81.0 | nM | 7.09 |
| CHEMBL21357 | — | Ki | = | 103.7 | nM | 6.98 |
| CHEMBL22 | TRIMETHOPRIM | Ki | = | 132.3 | nM | 6.88 |
| CHEMBL280410 | — | Ki | = | 179.6 | nM | 6.75 |
| CHEMBL279492 | — | Ki | = | 368.7 | nM | 6.43 |
| CHEMBL279986 | — | Ki | = | 421.3 | nM | 6.38 |
| CHEMBL22271 | — | Ki | = | 415.2 | nM | 6.38 |
| CHEMBL22357 | — | Ki | = | 1173.0 | nM | 5.93 |