Assay Detail
ADMET
CHEMBL4768939
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Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis
24
Total Activities
24
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| 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 | 24 | 4.50 | 4.84 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL129788 | — | — | 1 | 4.84 |
| CHEMBL4792349 | — | — | 1 | 4.71 |
| CHEMBL4798400 | — | — | 1 | 4.68 |
| CHEMBL1231612 | — | — | 1 | 4.63 |
| CHEMBL4780298 | — | — | 1 | 4.62 |
| CHEMBL4795771 | — | — | 1 | 4.62 |
| CHEMBL4789322 | — | — | 1 | 4.62 |
| CHEMBL4796933 | — | — | 1 | 4.60 |
| CHEMBL4780381 | — | — | 1 | 4.54 |
| CHEMBL587606 | — | — | 1 | 4.54 |
| CHEMBL4793581 | — | — | 1 | 4.48 |
| CHEMBL4784036 | — | — | 1 | 4.44 |
| CHEMBL4782529 | — | — | 1 | 4.42 |
| CHEMBL4796554 | — | — | 1 | 4.41 |
| CHEMBL4799272 | — | — | 1 | 4.41 |
| CHEMBL4778245 | — | — | 1 | 4.38 |
| CHEMBL528489 | — | — | 1 | 4.37 |
| CHEMBL527468 | — | — | 1 | 4.34 |
| CHEMBL4784738 | — | — | 1 | 4.32 |
| CHEMBL4792035 | — | — | 1 | 4.04 |
| CHEMBL4781149 | — | — | 1 | - |
| CHEMBL4781162 | — | — | 1 | - |
| CHEMBL4800362 | — | — | 1 | - |
| CHEMBL4797103 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL129788 | — | Ki | = | 14600.0 | nM | 4.84 |
| CHEMBL4792349 | — | Ki | = | 19500.0 | nM | 4.71 |
| CHEMBL4798400 | — | Ki | = | 21100.0 | nM | 4.68 |
| CHEMBL1231612 | — | Ki | = | 23600.0 | nM | 4.63 |
| CHEMBL4780298 | — | Ki | = | 23700.0 | nM | 4.62 |
| CHEMBL4795771 | — | Ki | = | 23700.0 | nM | 4.62 |
| CHEMBL4789322 | — | Ki | = | 23700.0 | nM | 4.62 |
| CHEMBL4796933 | — | Ki | = | 25200.0 | nM | 4.60 |
| CHEMBL4780381 | — | Ki | = | 29200.0 | nM | 4.54 |
| CHEMBL587606 | — | Ki | = | 29100.0 | nM | 4.54 |
| CHEMBL4793581 | — | Ki | = | 33200.0 | nM | 4.48 |
| CHEMBL4784036 | — | Ki | = | 36300.0 | nM | 4.44 |
| CHEMBL4782529 | — | Ki | = | 37600.0 | nM | 4.42 |
| CHEMBL4796554 | — | Ki | = | 39100.0 | nM | 4.41 |
| CHEMBL4799272 | — | Ki | = | 39100.0 | nM | 4.41 |
| CHEMBL4778245 | — | Ki | = | 41700.0 | nM | 4.38 |
| CHEMBL528489 | — | Ki | = | 42900.0 | nM | 4.37 |
| CHEMBL527468 | — | Ki | = | 45800.0 | nM | 4.34 |
| CHEMBL4784738 | — | Ki | = | 48400.0 | nM | 4.32 |
| CHEMBL4792035 | — | Ki | = | 91500.0 | nM | 4.04 |
| CHEMBL4781149 | — | Ki | = | 124000.0 | nM | - |
| CHEMBL4781162 | — | Ki | = | 116000.0 | nM | - |
| CHEMBL4800362 | — | Ki | = | 145000.0 | nM | - |
| CHEMBL4797103 | — | Ki | = | 230000.0 | nM | - |