Assay Detail
Binding
CHEMBL2384161
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Inhibition of Pneumocystis carinii DHFR
28
Total Activities
28
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Pneumocystis carinii |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Design, synthesis, and molecular modeling of novel pyrido[2,3-d]pyrimidine analogues as antifolates; application of Buchwald-Hartwig aminations of heterocycles.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 28 | 6.52 | 8.89 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | 8.89 |
| CHEMBL2382334 | — | — | 1 | 8.68 |
| CHEMBL2382330 | — | — | 1 | 8.64 |
| CHEMBL2382327 | — | — | 1 | 8.62 |
| CHEMBL2382329 | — | — | 1 | 8.44 |
| CHEMBL7492 | PIRITREXIM | 2.0 | 1 | 7.89 |
| CHEMBL2382332 | — | — | 1 | 7.68 |
| CHEMBL2382328 | — | — | 1 | 7.64 |
| CHEMBL2382331 | — | — | 1 | 7.60 |
| CHEMBL119 | TRIMETREXATE | 4.0 | 1 | 7.38 |
| CHEMBL2382326 | — | — | 1 | 7.12 |
| CHEMBL2382335 | — | — | 1 | 7.01 |
| CHEMBL2382336 | — | — | 1 | 6.64 |
| CHEMBL2382333 | — | — | 1 | 6.24 |
| CHEMBL2382323 | — | — | 1 | 5.82 |
| CHEMBL2382314 | — | — | 1 | 5.64 |
| CHEMBL36 | PYRIMETHAMINE | 4.0 | 1 | 5.62 |
| CHEMBL2382321 | — | — | 1 | 5.60 |
| CHEMBL2382317 | — | — | 1 | 5.48 |
| CHEMBL2382318 | — | — | 1 | 5.34 |
| CHEMBL2382320 | — | — | 1 | 5.31 |
| CHEMBL2382315 | — | — | 1 | 5.27 |
| CHEMBL2382316 | — | — | 1 | 5.14 |
| CHEMBL2382324 | — | — | 1 | 5.11 |
| CHEMBL2382319 | — | — | 1 | 5.11 |
| CHEMBL2382325 | — | — | 1 | 5.05 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | 4.90 |
| CHEMBL2382322 | — | — | 1 | 4.80 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL34259 | METHOTREXATE | IC50 | = | 1.3 | nM | 8.89 |
| CHEMBL2382334 | — | IC50 | = | 2.1 | nM | 8.68 |
| CHEMBL2382330 | — | IC50 | = | 2.3 | nM | 8.64 |
| CHEMBL2382327 | — | IC50 | = | 2.4 | nM | 8.62 |
| CHEMBL2382329 | — | IC50 | = | 3.6 | nM | 8.44 |
| CHEMBL7492 | PIRITREXIM | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL2382332 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL2382328 | — | IC50 | = | 23.0 | nM | 7.64 |
| CHEMBL2382331 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL119 | TRIMETREXATE | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL2382326 | — | IC50 | = | 76.0 | nM | 7.12 |
| CHEMBL2382335 | — | IC50 | = | 98.0 | nM | 7.01 |
| CHEMBL2382336 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL2382333 | — | IC50 | = | 580.0 | nM | 6.24 |
| CHEMBL2382323 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL2382314 | — | IC50 | = | 2300.0 | nM | 5.64 |
| CHEMBL36 | PYRIMETHAMINE | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL2382321 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL2382317 | — | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL2382318 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL2382320 | — | IC50 | = | 4900.0 | nM | 5.31 |
| CHEMBL2382315 | — | IC50 | = | 5400.0 | nM | 5.27 |
| CHEMBL2382316 | — | IC50 | = | 7300.0 | nM | 5.14 |
| CHEMBL2382324 | — | IC50 | = | 7700.0 | nM | 5.11 |
| CHEMBL2382319 | — | IC50 | = | 7700.0 | nM | 5.11 |
| CHEMBL2382325 | — | IC50 | = | 9000.0 | nM | 5.05 |
| CHEMBL22 | TRIMETHOPRIM | IC50 | = | 12500.0 | nM | 4.90 |
| CHEMBL2382322 | — | IC50 | = | 16000.0 | nM | 4.80 |