Assay Detail
Binding
CHEMBL4768934
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Inhibition of Plasmodium falciparum DHFR A16V/S108T mutant expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis
46
Total Activities
46
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Plasmodium falciparum |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 46 | 8.07 | 9.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL587606 | — | — | 1 | 9.00 |
| CHEMBL4780381 | — | — | 1 | 8.92 |
| CHEMBL1231612 | — | — | 1 | 8.89 |
| CHEMBL4796933 | — | — | 1 | 8.82 |
| CHEMBL4784036 | — | — | 1 | 8.82 |
| CHEMBL4800011 | — | — | 1 | 8.80 |
| CHEMBL4792349 | — | — | 1 | 8.74 |
| CHEMBL4782529 | — | — | 1 | 8.74 |
| CHEMBL4792035 | — | — | 1 | 8.74 |
| CHEMBL4781162 | — | — | 1 | 8.72 |
| CHEMBL4798400 | — | — | 1 | 8.72 |
| CHEMBL4778245 | — | — | 1 | 8.70 |
| CHEMBL4800635 | — | — | 1 | 8.55 |
| CHEMBL4780256 | — | — | 1 | 8.52 |
| CHEMBL4789322 | — | — | 1 | 8.51 |
| CHEMBL4796554 | — | — | 1 | 8.51 |
| CHEMBL527468 | — | — | 1 | 8.49 |
| CHEMBL4793581 | — | — | 1 | 8.47 |
| CHEMBL4795771 | — | — | 1 | 8.47 |
| CHEMBL4784738 | — | — | 1 | 8.43 |
| CHEMBL4799272 | — | — | 1 | 8.40 |
| CHEMBL4781149 | — | — | 1 | 8.39 |
| CHEMBL4781827 | — | — | 1 | 8.28 |
| CHEMBL4795829 | — | — | 1 | 8.28 |
| CHEMBL4793034 | — | — | 1 | 8.24 |
| CHEMBL4783968 | — | — | 1 | 8.21 |
| CHEMBL4796443 | — | — | 1 | 8.21 |
| CHEMBL4799632 | — | — | 1 | 8.20 |
| CHEMBL528489 | — | — | 1 | 8.15 |
| CHEMBL4798754 | — | — | 1 | 8.15 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL587606 | — | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL4780381 | — | Ki | = | 1.2 | nM | 8.92 |
| CHEMBL1231612 | — | Ki | = | 1.3 | nM | 8.89 |
| CHEMBL4796933 | — | Ki | = | 1.5 | nM | 8.82 |
| CHEMBL4784036 | — | Ki | = | 1.5 | nM | 8.82 |
| CHEMBL4800011 | — | Ki | = | 1.6 | nM | 8.80 |
| CHEMBL4792349 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL4782529 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL4792035 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL4781162 | — | Ki | = | 1.9 | nM | 8.72 |
| CHEMBL4798400 | — | Ki | = | 1.9 | nM | 8.72 |
| CHEMBL4778245 | — | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL4800635 | — | Ki | = | 2.8 | nM | 8.55 |
| CHEMBL4780256 | — | Ki | = | 3.0 | nM | 8.52 |
| CHEMBL4796554 | — | Ki | = | 3.1 | nM | 8.51 |
| CHEMBL4789322 | — | Ki | = | 3.1 | nM | 8.51 |
| CHEMBL527468 | — | Ki | = | 3.2 | nM | 8.49 |
| CHEMBL4793581 | — | Ki | = | 3.4 | nM | 8.47 |
| CHEMBL4795771 | — | Ki | = | 3.4 | nM | 8.47 |
| CHEMBL4784738 | — | Ki | = | 3.7 | nM | 8.43 |
| CHEMBL4799272 | — | Ki | = | 4.0 | nM | 8.40 |
| CHEMBL4781149 | — | Ki | = | 4.1 | nM | 8.39 |
| CHEMBL4795829 | — | Ki | = | 5.3 | nM | 8.28 |
| CHEMBL4781827 | — | Ki | = | 5.3 | nM | 8.28 |
| CHEMBL4793034 | — | Ki | = | 5.7 | nM | 8.24 |
| CHEMBL4783968 | — | Ki | = | 6.1 | nM | 8.21 |
| CHEMBL4796443 | — | Ki | = | 6.1 | nM | 8.21 |
| CHEMBL4799632 | — | Ki | = | 6.3 | nM | 8.20 |
| CHEMBL528489 | — | Ki | = | 7.1 | nM | 8.15 |
| CHEMBL4798754 | — | Ki | = | 7.0 | nM | 8.15 |
| CHEMBL4798412 | — | Ki | = | 7.3 | nM | 8.14 |
| CHEMBL4788495 | — | Ki | = | 8.3 | nM | 8.08 |
| CHEMBL4797103 | — | Ki | = | 9.7 | nM | 8.01 |
| CHEMBL4777058 | — | Ki | = | 10.5 | nM | 7.98 |
| CHEMBL4791022 | — | Ki | = | 14.7 | nM | 7.83 |
| CHEMBL4796828 | — | Ki | = | 46.0 | nM | 7.34 |
| CHEMBL4798973 | — | Ki | = | 56.8 | nM | 7.25 |
| CHEMBL4779476 | — | Ki | = | 61.0 | nM | 7.21 |
| CHEMBL4784378 | — | Ki | = | 72.2 | nM | 7.14 |
| CHEMBL4791594 | — | Ki | = | 131.0 | nM | 6.88 |
| CHEMBL4786084 | — | Ki | = | 133.0 | nM | 6.88 |
| CHEMBL4781350 | — | Ki | = | 186.0 | nM | 6.73 |
| CHEMBL4789860 | — | Ki | = | 215.0 | nM | 6.67 |
| CHEMBL4789386 | — | Ki | = | 222.0 | nM | 6.65 |
| CHEMBL4786930 | — | Ki | = | 308.0 | nM | 6.51 |
| CHEMBL747 | CYCLOGUANIL | Ki | = | 1314.0 | nM | 5.88 |