Assay Detail
Binding
CHEMBL830842
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Inhibition of Pneumocystis carinii dihydrofolate reductase
177
Total Activities
172
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Pneumocystis carinii |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, Toxoplasma gondii dihydrofolate reductase, and rat liver dihydrofolate reductase.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 177 | 6.12 | 7.88 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL50514 | — | — | 1 | 7.88 |
| CHEMBL53693 | — | — | 1 | 7.87 |
| CHEMBL367802 | — | — | 1 | 7.77 |
| CHEMBL23569 | — | — | 1 | 7.64 |
| CHEMBL80066 | — | — | 1 | 7.64 |
| CHEMBL113816 | — | — | 1 | 7.63 |
| CHEMBL310880 | — | — | 2 | 7.54 |
| CHEMBL179319 | — | — | 1 | 7.52 |
| CHEMBL264386 | — | — | 1 | 7.46 |
| CHEMBL79347 | — | — | 1 | 7.43 |
| CHEMBL300603 | — | — | 1 | 7.42 |
| CHEMBL54538 | — | — | 1 | 7.40 |
| CHEMBL53903 | — | — | 1 | 7.39 |
| CHEMBL283518 | — | — | 1 | 7.36 |
| CHEMBL23021 | — | — | 1 | 7.34 |
| CHEMBL81119 | — | — | 1 | 7.33 |
| CHEMBL55727 | — | — | 1 | 7.28 |
| CHEMBL117750 | — | — | 1 | 7.28 |
| CHEMBL49454 | — | — | 1 | 7.27 |
| CHEMBL23416 | — | — | 1 | 7.26 |
| CHEMBL32190 | — | — | 1 | 7.21 |
| CHEMBL420224 | — | — | 1 | 7.20 |
| CHEMBL178888 | — | — | 1 | 7.19 |
| CHEMBL33038 | — | — | 1 | 7.17 |
| CHEMBL84457 | — | — | 2 | 7.16 |
| CHEMBL279679 | — | — | 1 | 7.12 |
| CHEMBL36245 | — | — | 1 | 7.12 |
| CHEMBL35222 | — | — | 1 | 7.10 |
| CHEMBL80065 | — | — | 1 | 7.09 |
| CHEMBL32113 | — | — | 1 | 7.08 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL50514 | — | IC50 | = | 13.2 | nM | 7.88 |
| CHEMBL53693 | — | IC50 | = | 13.4 | nM | 7.87 |
| CHEMBL367802 | — | IC50 | = | 16.98 | nM | 7.77 |
| CHEMBL80066 | — | IC50 | = | 23.0 | nM | 7.64 |
| CHEMBL23569 | — | IC50 | = | 22.9 | nM | 7.64 |
| CHEMBL113816 | — | IC50 | = | 23.31 | nM | 7.63 |
| CHEMBL310880 | — | IC50 | = | 29.0 | nM | 7.54 |
| CHEMBL179319 | — | IC50 | = | 29.99 | nM | 7.52 |
| CHEMBL264386 | — | IC50 | = | 35.0 | nM | 7.46 |
| CHEMBL79347 | — | IC50 | = | 36.98 | nM | 7.43 |
| CHEMBL300603 | — | IC50 | = | 38.0 | nM | 7.42 |
| CHEMBL54538 | — | IC50 | = | 39.99 | nM | 7.40 |
| CHEMBL53903 | — | IC50 | = | 41.0 | nM | 7.39 |
| CHEMBL283518 | — | IC50 | = | 44.0 | nM | 7.36 |
| CHEMBL23021 | — | IC50 | = | 46.0 | nM | 7.34 |
| CHEMBL81119 | — | IC50 | = | 46.99 | nM | 7.33 |
| CHEMBL55727 | — | IC50 | = | 52.0 | nM | 7.28 |
| CHEMBL117750 | — | IC50 | = | 52.0 | nM | 7.28 |
| CHEMBL49454 | — | IC50 | = | 53.46 | nM | 7.27 |
| CHEMBL23416 | — | IC50 | = | 55.4 | nM | 7.26 |
| CHEMBL32190 | — | IC50 | = | 61.0 | nM | 7.21 |
| CHEMBL420224 | — | IC50 | = | 62.99 | nM | 7.20 |
| CHEMBL178888 | — | IC50 | = | 64.0 | nM | 7.19 |
| CHEMBL33038 | — | IC50 | = | 68.08 | nM | 7.17 |
| CHEMBL84457 | — | IC50 | = | 68.9 | nM | 7.16 |
| CHEMBL36245 | — | IC50 | = | 76.0 | nM | 7.12 |
| CHEMBL279679 | — | IC50 | = | 76.7 | nM | 7.12 |
| CHEMBL35222 | — | IC50 | = | 79.07 | nM | 7.10 |
| CHEMBL310880 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL80065 | — | IC50 | = | 80.8 | nM | 7.09 |
| CHEMBL32113 | — | IC50 | = | 84.0 | nM | 7.08 |
| CHEMBL137981 | — | IC50 | = | 86.1 | nM | 7.07 |
| CHEMBL23532 | — | IC50 | = | 86.1 | nM | 7.07 |
| CHEMBL325434 | — | IC50 | = | 87.1 | nM | 7.06 |
| CHEMBL57624 | — | IC50 | = | 90.99 | nM | 7.04 |
| CHEMBL312348 | — | IC50 | = | 95.5 | nM | 7.02 |
| CHEMBL123122 | — | IC50 | = | 94.99 | nM | 7.02 |
| CHEMBL54792 | — | IC50 | = | 97.01 | nM | 7.01 |
| CHEMBL115804 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL82975 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL121348 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL121683 | — | IC50 | = | 114.0 | nM | 6.94 |
| CHEMBL84457 | — | IC50 | = | 116.95 | nM | 6.93 |
| CHEMBL52688 | — | IC50 | = | 120.01 | nM | 6.92 |
| CHEMBL120821 | — | IC50 | = | 119.12 | nM | 6.92 |
| CHEMBL22623 | — | IC50 | = | 129.99 | nM | 6.89 |
| CHEMBL55191 | — | IC50 | = | 149.97 | nM | 6.82 |
| CHEMBL299174 | — | IC50 | = | 159.99 | nM | 6.80 |
| CHEMBL445359 | — | IC50 | = | 169.82 | nM | 6.77 |
| CHEMBL123043 | — | IC50 | = | 171.0 | nM | 6.77 |