Assay Detail
Binding
CHEMBL821377
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Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.
48
Total Activities
48
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
Inhibitors of multiple mutants of Plasmodium falciparum dihydrofolate reductase and their antimalarial activities.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 48 | 8.72 | 9.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL22405 | — | — | 1 | 9.52 |
| CHEMBL416552 | — | — | 1 | 9.52 |
| CHEMBL22403 | — | — | 1 | 9.40 |
| CHEMBL21778 | — | — | 1 | 9.40 |
| CHEMBL161034 | — | — | 1 | 9.40 |
| CHEMBL21494 | — | — | 1 | 9.30 |
| CHEMBL22693 | — | — | 1 | 9.30 |
| CHEMBL159032 | — | — | 1 | 9.30 |
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 9.22 |
| CHEMBL161673 | — | — | 1 | 9.22 |
| CHEMBL21407 | — | — | 1 | 9.22 |
| CHEMBL161451 | — | — | 1 | 9.15 |
| CHEMBL351099 | — | — | 1 | 9.15 |
| CHEMBL21691 | — | — | 1 | 9.15 |
| CHEMBL278847 | — | — | 1 | 9.10 |
| CHEMBL21799 | ETOPRINE | -1.0 | 1 | 9.00 |
| CHEMBL434771 | — | — | 1 | 8.96 |
| CHEMBL161117 | — | — | 1 | 8.96 |
| CHEMBL352441 | — | — | 1 | 8.92 |
| CHEMBL21921 | — | — | 1 | 8.92 |
| CHEMBL158570 | — | — | 1 | 8.89 |
| CHEMBL352195 | — | — | 1 | 8.85 |
| CHEMBL747 | CYCLOGUANIL | 2.0 | 1 | 8.82 |
| CHEMBL346932 | — | — | 1 | 8.82 |
| CHEMBL161757 | — | — | 1 | 8.74 |
| CHEMBL22039 | — | — | 1 | 8.72 |
| CHEMBL278813 | — | — | 1 | 8.66 |
| CHEMBL22148 | — | — | 1 | 8.64 |
| CHEMBL354011 | — | — | 1 | 8.64 |
| CHEMBL161009 | — | — | 1 | 8.62 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL22405 | — | Ki | = | 0.3 | nM | 9.52 |
| CHEMBL416552 | — | Ki | = | 0.3 | nM | 9.52 |
| CHEMBL21778 | — | Ki | = | 0.4 | nM | 9.40 |
| CHEMBL161034 | — | Ki | = | 0.4 | nM | 9.40 |
| CHEMBL22403 | — | Ki | = | 0.4 | nM | 9.40 |
| CHEMBL21494 | — | Ki | = | 0.5 | nM | 9.30 |
| CHEMBL22693 | — | Ki | = | 0.5 | nM | 9.30 |
| CHEMBL159032 | — | Ki | = | 0.5 | nM | 9.30 |
| CHEMBL36 | PYRIMETHAMINE | Ki | = | 0.6 | nM | 9.22 |
| CHEMBL161673 | — | Ki | = | 0.6 | nM | 9.22 |
| CHEMBL21407 | — | Ki | = | 0.6 | nM | 9.22 |
| CHEMBL21691 | — | Ki | = | 0.7 | nM | 9.15 |
| CHEMBL351099 | — | Ki | = | 0.7 | nM | 9.15 |
| CHEMBL161451 | — | Ki | = | 0.7 | nM | 9.15 |
| CHEMBL278847 | — | Ki | = | 0.8 | nM | 9.10 |
| CHEMBL21799 | ETOPRINE | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL434771 | — | Ki | = | 1.1 | nM | 8.96 |
| CHEMBL161117 | — | Ki | = | 1.1 | nM | 8.96 |
| CHEMBL352441 | — | Ki | = | 1.2 | nM | 8.92 |
| CHEMBL21921 | — | Ki | = | 1.2 | nM | 8.92 |
| CHEMBL158570 | — | Ki | = | 1.3 | nM | 8.89 |
| CHEMBL352195 | — | Ki | = | 1.4 | nM | 8.85 |
| CHEMBL747 | CYCLOGUANIL | Ki | = | 1.5 | nM | 8.82 |
| CHEMBL346932 | — | Ki | = | 1.5 | nM | 8.82 |
| CHEMBL161757 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL22039 | — | Ki | = | 1.9 | nM | 8.72 |
| CHEMBL278813 | — | Ki | = | 2.2 | nM | 8.66 |
| CHEMBL22148 | — | Ki | = | 2.3 | nM | 8.64 |
| CHEMBL354011 | — | Ki | = | 2.3 | nM | 8.64 |
| CHEMBL161009 | — | Ki | = | 2.4 | nM | 8.62 |
| CHEMBL348151 | — | Ki | = | 2.7 | nM | 8.57 |
| CHEMBL346963 | — | Ki | = | 2.7 | nM | 8.57 |
| CHEMBL7130 | — | Ki | = | 3.0 | nM | 8.52 |
| CHEMBL444605 | — | Ki | = | 3.1 | nM | 8.51 |
| CHEMBL346982 | — | Ki | = | 3.3 | nM | 8.48 |
| CHEMBL162126 | — | Ki | = | 3.4 | nM | 8.47 |
| CHEMBL158054 | — | Ki | = | 3.5 | nM | 8.46 |
| CHEMBL159052 | — | Ki | = | 4.0 | nM | 8.40 |
| CHEMBL93484 | — | Ki | = | 4.1 | nM | 8.39 |
| CHEMBL93889 | — | Ki | = | 4.5 | nM | 8.35 |
| CHEMBL158639 | — | Ki | = | 4.6 | nM | 8.34 |
| CHEMBL422005 | — | Ki | = | 9.2 | nM | 8.04 |
| CHEMBL13636 | — | Ki | = | 10.2 | nM | 7.99 |
| CHEMBL347190 | — | Ki | = | 10.6 | nM | 7.97 |
| CHEMBL329687 | — | Ki | = | 11.7 | nM | 7.93 |
| CHEMBL158691 | — | Ki | = | 25.5 | nM | 7.59 |
| CHEMBL345146 | — | Ki | = | 36.5 | nM | 7.44 |
| CHEMBL159040 | — | Ki | = | 85.0 | nM | 7.07 |