Assay Detail
Binding
CHEMBL880697
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Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L 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 | 7.48 | 9.10 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL346963 | — | — | 1 | 9.10 |
| CHEMBL161451 | — | — | 1 | 8.89 |
| CHEMBL416552 | — | — | 1 | 8.85 |
| CHEMBL22403 | — | — | 1 | 8.77 |
| CHEMBL278813 | — | — | 1 | 8.70 |
| CHEMBL21921 | — | — | 1 | 8.70 |
| CHEMBL346982 | — | — | 1 | 8.57 |
| CHEMBL21494 | — | — | 1 | 8.57 |
| CHEMBL161757 | — | — | 1 | 8.57 |
| CHEMBL278847 | — | — | 1 | 8.48 |
| CHEMBL352441 | — | — | 1 | 8.44 |
| CHEMBL346932 | — | — | 1 | 8.44 |
| CHEMBL159052 | — | — | 1 | 8.35 |
| CHEMBL22693 | — | — | 1 | 8.33 |
| CHEMBL348151 | — | — | 1 | 8.32 |
| CHEMBL161117 | — | — | 1 | 8.24 |
| CHEMBL354011 | — | — | 1 | 8.11 |
| CHEMBL158570 | — | — | 1 | 8.10 |
| CHEMBL162126 | — | — | 1 | 7.85 |
| CHEMBL22039 | — | — | 1 | 7.85 |
| CHEMBL13636 | — | — | 1 | 7.84 |
| CHEMBL161009 | — | — | 1 | 7.80 |
| CHEMBL21407 | — | — | 1 | 7.62 |
| CHEMBL7130 | — | — | 1 | 7.60 |
| CHEMBL22148 | — | — | 1 | 7.50 |
| CHEMBL444605 | — | — | 1 | 7.50 |
| CHEMBL158639 | — | — | 1 | 7.41 |
| CHEMBL21799 | ETOPRINE | -1.0 | 1 | 7.28 |
| CHEMBL422005 | — | — | 1 | 7.24 |
| CHEMBL161673 | — | — | 1 | 7.16 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL346963 | — | Ki | = | 0.8 | nM | 9.10 |
| CHEMBL161451 | — | Ki | = | 1.3 | nM | 8.89 |
| CHEMBL416552 | — | Ki | = | 1.4 | nM | 8.85 |
| CHEMBL22403 | — | Ki | = | 1.7 | nM | 8.77 |
| CHEMBL278813 | — | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL21921 | — | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL346982 | — | Ki | = | 2.7 | nM | 8.57 |
| CHEMBL21494 | — | Ki | = | 2.7 | nM | 8.57 |
| CHEMBL161757 | — | Ki | = | 2.7 | nM | 8.57 |
| CHEMBL278847 | — | Ki | = | 3.3 | nM | 8.48 |
| CHEMBL352441 | — | Ki | = | 3.6 | nM | 8.44 |
| CHEMBL346932 | — | Ki | = | 3.6 | nM | 8.44 |
| CHEMBL159052 | — | Ki | = | 4.5 | nM | 8.35 |
| CHEMBL22693 | — | Ki | = | 4.7 | nM | 8.33 |
| CHEMBL348151 | — | Ki | = | 4.8 | nM | 8.32 |
| CHEMBL161117 | — | Ki | = | 5.8 | nM | 8.24 |
| CHEMBL354011 | — | Ki | = | 7.7 | nM | 8.11 |
| CHEMBL158570 | — | Ki | = | 8.0 | nM | 8.10 |
| CHEMBL162126 | — | Ki | = | 14.0 | nM | 7.85 |
| CHEMBL22039 | — | Ki | = | 14.0 | nM | 7.85 |
| CHEMBL13636 | — | Ki | = | 14.3 | nM | 7.84 |
| CHEMBL161009 | — | Ki | = | 15.9 | nM | 7.80 |
| CHEMBL21407 | — | Ki | = | 24.0 | nM | 7.62 |
| CHEMBL7130 | — | Ki | = | 25.0 | nM | 7.60 |
| CHEMBL22148 | — | Ki | = | 32.0 | nM | 7.50 |
| CHEMBL444605 | — | Ki | = | 31.4 | nM | 7.50 |
| CHEMBL158639 | — | Ki | = | 39.4 | nM | 7.41 |
| CHEMBL21799 | ETOPRINE | Ki | = | 53.0 | nM | 7.28 |
| CHEMBL422005 | — | Ki | = | 57.0 | nM | 7.24 |
| CHEMBL161673 | — | Ki | = | 69.2 | nM | 7.16 |
| CHEMBL352195 | — | Ki | = | 121.0 | nM | 6.92 |
| CHEMBL21691 | — | Ki | = | 170.0 | nM | 6.77 |
| CHEMBL161034 | — | Ki | = | 222.0 | nM | 6.65 |
| CHEMBL347190 | — | Ki | = | 237.0 | nM | 6.62 |
| CHEMBL159032 | — | Ki | = | 239.0 | nM | 6.62 |
| CHEMBL434771 | — | Ki | = | 269.0 | nM | 6.57 |
| CHEMBL21778 | — | Ki | = | 284.0 | nM | 6.55 |
| CHEMBL22405 | — | Ki | = | 360.0 | nM | 6.44 |
| CHEMBL36 | PYRIMETHAMINE | Ki | = | 385.0 | nM | 6.42 |
| CHEMBL747 | CYCLOGUANIL | Ki | = | 420.0 | nM | 6.38 |
| CHEMBL158691 | — | Ki | = | 472.0 | nM | 6.33 |
| CHEMBL159040 | — | Ki | = | 549.0 | nM | 6.26 |
| CHEMBL351099 | — | Ki | = | 638.0 | nM | 6.20 |
| CHEMBL329687 | — | Ki | = | 984.0 | nM | 6.01 |
| CHEMBL93484 | — | Ki | = | 2427.0 | nM | 5.62 |
| CHEMBL93889 | — | Ki | = | 2436.0 | nM | 5.61 |
| CHEMBL158054 | — | Ki | = | 4432.0 | nM | 5.35 |
| CHEMBL345146 | — | Ki | > | 10000.0 | nM | - |