Assay Detail
Binding
CHEMBL667622
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Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutations
14
Total Activities
14
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
Docking and database screening reveal new classes of Plasmodium falciparum dihydrofolate reductase inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 14 | 5.12 | 8.44 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 8.44 |
| CHEMBL97598 | — | — | 1 | 5.68 |
| CHEMBL747 | CYCLOGUANIL | 2.0 | 1 | 5.67 |
| CHEMBL365894 | — | — | 1 | 5.21 |
| CHEMBL186838 | — | — | 1 | 5.01 |
| CHEMBL95567 | — | — | 1 | 4.94 |
| CHEMBL323554 | — | — | 1 | 4.87 |
| CHEMBL95615 | — | — | 1 | 4.77 |
| CHEMBL95725 | — | — | 1 | 4.71 |
| CHEMBL94470 | — | — | 1 | 4.47 |
| CHEMBL243185 | PHENYLTHIOSEMICARBAZONE | — | 1 | 4.30 |
| CHEMBL95783 | — | — | 1 | 4.25 |
| CHEMBL95274 | — | — | 1 | 4.24 |
| CHEMBL95609 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL36 | PYRIMETHAMINE | Ki | = | 3.6 | nM | 8.44 |
| CHEMBL97598 | — | Ki | = | 2100.0 | nM | 5.68 |
| CHEMBL747 | CYCLOGUANIL | Ki | = | 2130.0 | nM | 5.67 |
| CHEMBL365894 | — | Ki | = | 6200.0 | nM | 5.21 |
| CHEMBL186838 | — | Ki | = | 9800.0 | nM | 5.01 |
| CHEMBL95567 | — | Ki | = | 11400.0 | nM | 4.94 |
| CHEMBL323554 | — | Ki | = | 13600.0 | nM | 4.87 |
| CHEMBL95615 | — | Ki | = | 17000.0 | nM | 4.77 |
| CHEMBL95725 | — | Ki | = | 19700.0 | nM | 4.71 |
| CHEMBL94470 | — | Ki | = | 34000.0 | nM | 4.47 |
| CHEMBL243185 | PHENYLTHIOSEMICARBAZONE | Ki | = | 50000.0 | nM | 4.30 |
| CHEMBL95783 | — | Ki | = | 55600.0 | nM | 4.25 |
| CHEMBL95274 | — | Ki | = | 57000.0 | nM | 4.24 |
| CHEMBL95609 | — | Ki | = | 106000.0 | nM | - |