Assay Detail
Binding
CHEMBL4390136
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Inhibition of Pneumocystis jirovecii DHFR expressed in Escherichia coli Rosetta-gami B (DE3) assessed as reduction in consumption of NADPH using 9 uM DHFA as substrate
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Pneumocystis jirovecii |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Development of substituted pyrido[3,2-d]pyrimidines as potent and selective dihydrofolate reductase inhibitors for pneumocystis pneumonia infection.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 6.89 | 7.39 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL7492 | PIRITREXIM | 2.0 | 1 | 7.39 |
| CHEMBL4440383 | — | — | 1 | 7.18 |
| CHEMBL4522334 | — | — | 1 | 7.10 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | 7.04 |
| CHEMBL140940 | — | — | 1 | 7.02 |
| CHEMBL4449630 | — | — | 1 | 6.95 |
| CHEMBL139188 | — | — | 1 | 6.91 |
| CHEMBL4588482 | — | — | 1 | 6.91 |
| CHEMBL4573954 | — | — | 1 | 6.82 |
| CHEMBL4571736 | — | — | 1 | 6.82 |
| CHEMBL4522888 | — | — | 1 | 6.81 |
| CHEMBL4462778 | — | — | 1 | 6.76 |
| CHEMBL4469864 | — | — | 1 | 6.71 |
| CHEMBL4589761 | — | — | 1 | 6.70 |
| CHEMBL141218 | — | — | 1 | 6.62 |
| CHEMBL138419 | — | — | 1 | 6.56 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL7492 | PIRITREXIM | IC50 | = | 41.0 | nM | 7.39 |
| CHEMBL4440383 | — | IC50 | = | 66.0 | nM | 7.18 |
| CHEMBL4522334 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL22 | TRIMETHOPRIM | IC50 | = | 92.0 | nM | 7.04 |
| CHEMBL140940 | — | IC50 | = | 96.0 | nM | 7.02 |
| CHEMBL4449630 | — | IC50 | = | 112.0 | nM | 6.95 |
| CHEMBL139188 | — | IC50 | = | 122.0 | nM | 6.91 |
| CHEMBL4588482 | — | IC50 | = | 123.0 | nM | 6.91 |
| CHEMBL4573954 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL4571736 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL4522888 | — | IC50 | = | 155.0 | nM | 6.81 |
| CHEMBL4462778 | — | IC50 | = | 174.0 | nM | 6.76 |
| CHEMBL4469864 | — | IC50 | = | 194.0 | nM | 6.71 |
| CHEMBL4589761 | — | IC50 | = | 201.0 | nM | 6.70 |
| CHEMBL141218 | — | IC50 | = | 239.0 | nM | 6.62 |
| CHEMBL138419 | — | IC50 | = | 275.0 | nM | 6.56 |