Assay Detail
Binding
CHEMBL664181
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Inhibition of dihydrofolate reductase DHFR in Pneumocystis carinii.
31
Total Activities
31
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Pneumocystis carinii |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Structural studies on bioactive compounds. 34. Design, synthesis, and biological evaluation of triazenyl-substituted pyrimethamine inhibitors of Pneumocystis carinii dihydrofolate reductase.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 31 | 5.90 | 7.38 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL119 | TRIMETREXATE | 4.0 | 1 | 7.38 |
| CHEMBL313553 | — | — | 1 | 7.28 |
| CHEMBL55764 | — | — | 1 | 6.77 |
| CHEMBL298538 | — | — | 1 | 6.58 |
| CHEMBL82853 | — | — | 1 | 6.32 |
| CHEMBL85573 | — | — | 1 | 6.24 |
| CHEMBL313680 | — | — | 1 | 6.23 |
| CHEMBL86085 | — | — | 1 | 6.17 |
| CHEMBL87013 | — | — | 1 | 6.07 |
| CHEMBL314001 | — | — | 1 | 6.07 |
| CHEMBL444587 | — | — | 1 | 6.03 |
| CHEMBL2115210 | — | — | 1 | 5.96 |
| CHEMBL85576 | — | — | 1 | 5.92 |
| CHEMBL85958 | — | — | 1 | 5.92 |
| CHEMBL2114205 | — | — | 1 | 5.90 |
| CHEMBL88004 | — | — | 1 | 5.89 |
| CHEMBL314387 | — | — | 1 | 5.89 |
| CHEMBL87423 | — | — | 1 | 5.87 |
| CHEMBL313034 | — | — | 1 | 5.85 |
| CHEMBL87383 | — | — | 1 | 5.82 |
| CHEMBL85188 | — | — | 1 | 5.77 |
| CHEMBL87549 | — | — | 1 | 5.72 |
| CHEMBL313440 | — | — | 1 | 5.68 |
| CHEMBL85875 | — | — | 1 | 5.65 |
| CHEMBL49246 | — | — | 1 | 5.55 |
| CHEMBL87730 | — | — | 1 | 5.46 |
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 5.44 |
| CHEMBL85919 | — | — | 1 | 5.33 |
| CHEMBL315297 | — | — | 1 | 5.28 |
| CHEMBL313131 | — | — | 1 | 4.96 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL119 | TRIMETREXATE | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL313553 | — | IC50 | = | 53.0 | nM | 7.28 |
| CHEMBL55764 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL298538 | — | IC50 | = | 260.0 | nM | 6.58 |
| CHEMBL82853 | — | IC50 | = | 480.0 | nM | 6.32 |
| CHEMBL85573 | — | IC50 | = | 580.0 | nM | 6.24 |
| CHEMBL313680 | — | IC50 | = | 590.0 | nM | 6.23 |
| CHEMBL86085 | — | IC50 | = | 680.0 | nM | 6.17 |
| CHEMBL87013 | — | IC50 | = | 850.0 | nM | 6.07 |
| CHEMBL314001 | — | IC50 | = | 860.0 | nM | 6.07 |
| CHEMBL444587 | — | IC50 | = | 940.0 | nM | 6.03 |
| CHEMBL2115210 | — | IC50 | = | 1090.0 | nM | 5.96 |
| CHEMBL85576 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL85958 | — | IC50 | = | 1210.0 | nM | 5.92 |
| CHEMBL2114205 | — | IC50 | = | 1260.0 | nM | 5.90 |
| CHEMBL88004 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL314387 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL87423 | — | IC50 | = | 1350.0 | nM | 5.87 |
| CHEMBL313034 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL87383 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL85188 | — | IC50 | = | 1700.0 | nM | 5.77 |
| CHEMBL87549 | — | IC50 | = | 1910.0 | nM | 5.72 |
| CHEMBL313440 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL85875 | — | IC50 | = | 2220.0 | nM | 5.65 |
| CHEMBL49246 | — | IC50 | = | 2800.0 | nM | 5.55 |
| CHEMBL87730 | — | IC50 | = | 3460.0 | nM | 5.46 |
| CHEMBL36 | PYRIMETHAMINE | IC50 | = | 3650.0 | nM | 5.44 |
| CHEMBL85919 | — | IC50 | = | 4700.0 | nM | 5.33 |
| CHEMBL315297 | — | IC50 | = | 5290.0 | nM | 5.28 |
| CHEMBL313131 | — | IC50 | = | 11080.0 | nM | 4.96 |
| CHEMBL441062 | — | IC50 | = | 92000.0 | nM | 4.04 |