Assay Detail
Binding
CHEMBL828776
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Inhibition constant against Plasmodium falciparum dihydrofolate reductase
52
Total Activities
52
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Plasmodium falciparum |
| Confidence | 8 — Homologous single protein target |
| Curated By | Intermediate |
Target
Bifunctional dihydrofolate reductase-thymidylate synthase (CHEMBL1939) ↗| Type | SINGLE PROTEIN |
| Organism | Plasmodium falciparum K1 |
Publication
Three-dimensional quantitative structure-activity relationship analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors using a pharmacophore generation approach.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 52 | 7.44 | 9.85 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL22405 | — | — | 1 | 9.85 |
| CHEMBL279492 | — | — | 1 | 9.13 |
| CHEMBL21691 | — | — | 1 | 9.13 |
| CHEMBL21885 | — | — | 1 | 9.11 |
| CHEMBL21799 | ETOPRINE | -1.0 | 1 | 9.10 |
| CHEMBL282275 | — | — | 1 | 9.08 |
| CHEMBL21357 | — | — | 1 | 9.08 |
| CHEMBL90018 | — | — | 1 | 9.08 |
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 9.06 |
| CHEMBL22357 | — | — | 1 | 9.04 |
| CHEMBL747 | CYCLOGUANIL | 2.0 | 1 | 8.96 |
| CHEMBL21778 | — | — | 1 | 8.96 |
| CHEMBL129788 | — | — | 1 | 8.96 |
| CHEMBL92583 | CHLORCYCLOGUANIL | — | 1 | 8.96 |
| CHEMBL6741 | — | — | 1 | 8.92 |
| CHEMBL281412 | — | — | 1 | 8.89 |
| CHEMBL7004 | — | — | 1 | 8.80 |
| CHEMBL22129 | — | — | 1 | 8.02 |
| CHEMBL21407 | — | — | 1 | 8.00 |
| CHEMBL416552 | — | — | 1 | 8.00 |
| CHEMBL278813 | — | — | 1 | 7.96 |
| CHEMBL22403 | — | — | 1 | 7.89 |
| CHEMBL29773 | — | — | 1 | 7.44 |
| CHEMBL22271 | — | — | 1 | 7.43 |
| CHEMBL21921 | — | — | 1 | 7.38 |
| CHEMBL434771 | — | — | 1 | 7.14 |
| CHEMBL278847 | — | — | 1 | 7.14 |
| CHEMBL21414 | — | — | 1 | 7.12 |
| CHEMBL22039 | — | — | 1 | 7.08 |
| CHEMBL92846 | — | — | 1 | 7.07 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL22405 | — | Ki | = | 0.14 | nM | 9.85 |
| CHEMBL279492 | — | Ki | = | 0.74 | nM | 9.13 |
| CHEMBL21691 | — | Ki | = | 0.74 | nM | 9.13 |
| CHEMBL21885 | — | Ki | = | 0.77 | nM | 9.11 |
| CHEMBL21799 | ETOPRINE | Ki | = | 0.79 | nM | 9.10 |
| CHEMBL282275 | — | Ki | = | 0.84 | nM | 9.08 |
| CHEMBL21357 | — | Ki | = | 0.84 | nM | 9.08 |
| CHEMBL90018 | — | Ki | = | 0.84 | nM | 9.08 |
| CHEMBL36 | PYRIMETHAMINE | Ki | = | 0.87 | nM | 9.06 |
| CHEMBL22357 | — | Ki | = | 0.92 | nM | 9.04 |
| CHEMBL747 | CYCLOGUANIL | Ki | = | 1.1 | nM | 8.96 |
| CHEMBL21778 | — | Ki | = | 1.1 | nM | 8.96 |
| CHEMBL129788 | — | Ki | = | 1.1 | nM | 8.96 |
| CHEMBL92583 | CHLORCYCLOGUANIL | Ki | = | 1.1 | nM | 8.96 |
| CHEMBL6741 | — | Ki | = | 1.2 | nM | 8.92 |
| CHEMBL281412 | — | Ki | = | 1.3 | nM | 8.89 |
| CHEMBL7004 | — | Ki | = | 1.6 | nM | 8.80 |
| CHEMBL22129 | — | Ki | = | 9.6 | nM | 8.02 |
| CHEMBL21407 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL416552 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL278813 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL22403 | — | Ki | = | 13.0 | nM | 7.89 |
| CHEMBL29773 | — | Ki | = | 36.0 | nM | 7.44 |
| CHEMBL22271 | — | Ki | = | 37.0 | nM | 7.43 |
| CHEMBL21921 | — | Ki | = | 42.0 | nM | 7.38 |
| CHEMBL434771 | — | Ki | = | 72.0 | nM | 7.14 |
| CHEMBL278847 | — | Ki | = | 72.0 | nM | 7.14 |
| CHEMBL21414 | — | Ki | = | 75.0 | nM | 7.12 |
| CHEMBL22039 | — | Ki | = | 83.0 | nM | 7.08 |
| CHEMBL92846 | — | Ki | = | 85.0 | nM | 7.07 |
| CHEMBL93001 | — | Ki | = | 88.0 | nM | 7.06 |
| CHEMBL279986 | — | Ki | = | 90.0 | nM | 7.05 |
| CHEMBL7130 | — | Ki | = | 90.0 | nM | 7.05 |
| CHEMBL22148 | — | Ki | = | 100.0 | nM | 7.00 |
| CHEMBL21690 | — | Ki | = | 100.0 | nM | 7.00 |
| CHEMBL21408 | — | Ki | = | 110.0 | nM | 6.96 |
| CHEMBL6742 | — | Ki | = | 140.0 | nM | 6.85 |
| CHEMBL7005 | — | Ki | = | 170.0 | nM | 6.77 |
| CHEMBL185800 | — | Ki | = | 180.0 | nM | 6.75 |
| CHEMBL95615 | — | Ki | = | 410.0 | nM | 6.39 |
| CHEMBL95609 | — | Ki | = | 800.0 | nM | 6.10 |
| CHEMBL323554 | — | Ki | = | 900.0 | nM | 6.05 |
| CHEMBL365894 | — | Ki | = | 930.0 | nM | 6.03 |
| CHEMBL97598 | — | Ki | = | 1400.0 | nM | 5.85 |
| CHEMBL95274 | — | Ki | = | 1500.0 | nM | 5.82 |
| CHEMBL186838 | — | Ki | = | 1700.0 | nM | 5.77 |
| CHEMBL95783 | — | Ki | = | 2000.0 | nM | 5.70 |
| CHEMBL365481 | — | Ki | = | 2300.0 | nM | 5.64 |
| CHEMBL95567 | — | Ki | = | 8600.0 | nM | 5.07 |
| CHEMBL94470 | — | Ki | = | 9000.0 | nM | 5.05 |