Assay Detail
Binding
CHEMBL667200
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Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) 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 | 8.15 | 9.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL416552 | — | — | 1 | 9.40 |
| CHEMBL22403 | — | — | 1 | 9.15 |
| CHEMBL162126 | — | — | 1 | 9.15 |
| CHEMBL21494 | — | — | 1 | 9.11 |
| CHEMBL346932 | — | — | 1 | 9.10 |
| CHEMBL161451 | — | — | 1 | 9.05 |
| CHEMBL161757 | — | — | 1 | 9.00 |
| CHEMBL346963 | — | — | 1 | 9.00 |
| CHEMBL22693 | — | — | 1 | 8.96 |
| CHEMBL352441 | — | — | 1 | 8.96 |
| CHEMBL278813 | — | — | 1 | 8.89 |
| CHEMBL444605 | — | — | 1 | 8.74 |
| CHEMBL158570 | — | — | 1 | 8.72 |
| CHEMBL21921 | — | — | 1 | 8.70 |
| CHEMBL348151 | — | — | 1 | 8.70 |
| CHEMBL159052 | — | — | 1 | 8.70 |
| CHEMBL278847 | — | — | 1 | 8.68 |
| CHEMBL346982 | — | — | 1 | 8.68 |
| CHEMBL7130 | — | — | 1 | 8.66 |
| CHEMBL422005 | — | — | 1 | 8.64 |
| CHEMBL161117 | — | — | 1 | 8.60 |
| CHEMBL22148 | — | — | 1 | 8.52 |
| CHEMBL21799 | ETOPRINE | -1.0 | 1 | 8.51 |
| CHEMBL354011 | — | — | 1 | 8.49 |
| CHEMBL21407 | — | — | 1 | 8.48 |
| CHEMBL13636 | — | — | 1 | 8.38 |
| CHEMBL347190 | — | — | 1 | 8.30 |
| CHEMBL161009 | — | — | 1 | 8.26 |
| CHEMBL22039 | — | — | 1 | 8.19 |
| CHEMBL21778 | — | — | 1 | 8.16 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL416552 | — | Ki | = | 0.4 | nM | 9.40 |
| CHEMBL22403 | — | Ki | = | 0.7 | nM | 9.15 |
| CHEMBL162126 | — | Ki | = | 0.7 | nM | 9.15 |
| CHEMBL21494 | — | Ki | = | 0.77 | nM | 9.11 |
| CHEMBL346932 | — | Ki | = | 0.8 | nM | 9.10 |
| CHEMBL161451 | — | Ki | = | 0.9 | nM | 9.05 |
| CHEMBL161757 | — | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL346963 | — | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL22693 | — | Ki | = | 1.1 | nM | 8.96 |
| CHEMBL352441 | — | Ki | = | 1.1 | nM | 8.96 |
| CHEMBL278813 | — | Ki | = | 1.3 | nM | 8.89 |
| CHEMBL444605 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL158570 | — | Ki | = | 1.9 | nM | 8.72 |
| CHEMBL159052 | — | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL21921 | — | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL348151 | — | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL278847 | — | Ki | = | 2.1 | nM | 8.68 |
| CHEMBL346982 | — | Ki | = | 2.1 | nM | 8.68 |
| CHEMBL7130 | — | Ki | = | 2.2 | nM | 8.66 |
| CHEMBL422005 | — | Ki | = | 2.3 | nM | 8.64 |
| CHEMBL161117 | — | Ki | = | 2.5 | nM | 8.60 |
| CHEMBL22148 | — | Ki | = | 3.0 | nM | 8.52 |
| CHEMBL21799 | ETOPRINE | Ki | = | 3.1 | nM | 8.51 |
| CHEMBL354011 | — | Ki | = | 3.2 | nM | 8.49 |
| CHEMBL21407 | — | Ki | = | 3.3 | nM | 8.48 |
| CHEMBL13636 | — | Ki | = | 4.2 | nM | 8.38 |
| CHEMBL347190 | — | Ki | = | 5.0 | nM | 8.30 |
| CHEMBL161009 | — | Ki | = | 5.5 | nM | 8.26 |
| CHEMBL22039 | — | Ki | = | 6.5 | nM | 8.19 |
| CHEMBL21778 | — | Ki | = | 6.9 | nM | 8.16 |
| CHEMBL434771 | — | Ki | = | 8.3 | nM | 8.08 |
| CHEMBL158639 | — | Ki | = | 9.7 | nM | 8.01 |
| CHEMBL161673 | — | Ki | = | 11.3 | nM | 7.95 |
| CHEMBL21691 | — | Ki | = | 15.1 | nM | 7.82 |
| CHEMBL159032 | — | Ki | = | 23.6 | nM | 7.63 |
| CHEMBL161034 | — | Ki | = | 29.3 | nM | 7.53 |
| CHEMBL22405 | — | Ki | = | 29.3 | nM | 7.53 |
| CHEMBL747 | CYCLOGUANIL | Ki | = | 31.4 | nM | 7.50 |
| CHEMBL159040 | — | Ki | = | 58.5 | nM | 7.23 |
| CHEMBL36 | PYRIMETHAMINE | Ki | = | 67.1 | nM | 7.17 |
| CHEMBL352195 | — | Ki | = | 85.5 | nM | 7.07 |
| CHEMBL329687 | — | Ki | = | 111.0 | nM | 6.96 |
| CHEMBL93484 | — | Ki | = | 134.0 | nM | 6.87 |
| CHEMBL93889 | — | Ki | = | 196.0 | nM | 6.71 |
| CHEMBL158691 | — | Ki | = | 196.0 | nM | 6.71 |
| CHEMBL351099 | — | Ki | = | 220.0 | nM | 6.66 |
| CHEMBL158054 | — | Ki | = | 560.0 | nM | 6.25 |
| CHEMBL345146 | — | Ki | = | 1367.0 | nM | 5.86 |