Assay Detail
Binding
CHEMBL2329016
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Inhibition of Escherichia coli thymidylate synthase A
45
Total Activities
45
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Escherichia coli |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Ligand-based discovery of N-(1,3-dioxo-1H,3H-benzo[de]isochromen-5-yl)-carboxamide and sulfonamide derivatives as thymidylate synthase A inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 45 | 5.34 | 6.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2323403 | — | — | 1 | 6.52 |
| CHEMBL2323397 | — | — | 1 | 6.05 |
| CHEMBL2323395 | — | — | 1 | 5.96 |
| CHEMBL2323390 | — | — | 1 | 5.92 |
| CHEMBL2323393 | — | — | 1 | 5.92 |
| CHEMBL2323392 | — | — | 1 | 5.89 |
| CHEMBL2323362 | — | — | 1 | 5.72 |
| CHEMBL2323389 | — | — | 1 | 5.68 |
| CHEMBL2323391 | — | — | 1 | 5.66 |
| CHEMBL2323396 | — | — | 1 | 5.54 |
| CHEMBL2323383 | — | — | 1 | 5.40 |
| CHEMBL2323388 | — | — | 1 | 5.38 |
| CHEMBL2323382 | — | — | 1 | 5.36 |
| CHEMBL2323394 | — | — | 1 | 5.34 |
| CHEMBL2323385 | — | — | 1 | 5.28 |
| CHEMBL2323402 | — | — | 1 | 5.21 |
| CHEMBL2323386 | — | — | 1 | 5.19 |
| CHEMBL2323381 | — | — | 1 | 5.19 |
| CHEMBL2323384 | — | — | 1 | 5.17 |
| CHEMBL2323377 | — | — | 1 | 5.17 |
| CHEMBL2323387 | — | — | 1 | 5.15 |
| CHEMBL2323378 | — | — | 1 | 5.14 |
| CHEMBL2323398 | — | — | 1 | 5.13 |
| CHEMBL2323400 | — | — | 1 | 4.97 |
| CHEMBL2323379 | — | — | 1 | 4.77 |
| CHEMBL2323380 | — | — | 1 | 4.67 |
| CHEMBL2323371 | — | — | 1 | 4.57 |
| CHEMBL2323399 | — | — | 1 | 4.49 |
| CHEMBL2323401 | — | — | 1 | 4.35 |
| CHEMBL2323364 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2323403 | — | Ki | = | 300.0 | nM | 6.52 |
| CHEMBL2323397 | — | Ki | = | 900.0 | nM | 6.05 |
| CHEMBL2323395 | — | Ki | = | 1100.0 | nM | 5.96 |
| CHEMBL2323390 | — | Ki | = | 1200.0 | nM | 5.92 |
| CHEMBL2323393 | — | Ki | = | 1200.0 | nM | 5.92 |
| CHEMBL2323392 | — | Ki | = | 1300.0 | nM | 5.89 |
| CHEMBL2323362 | — | Ki | = | 1900.0 | nM | 5.72 |
| CHEMBL2323389 | — | Ki | = | 2100.0 | nM | 5.68 |
| CHEMBL2323391 | — | Ki | = | 2200.0 | nM | 5.66 |
| CHEMBL2323396 | — | Ki | = | 2900.0 | nM | 5.54 |
| CHEMBL2323383 | — | Ki | = | 4000.0 | nM | 5.40 |
| CHEMBL2323388 | — | Ki | = | 4200.0 | nM | 5.38 |
| CHEMBL2323382 | — | Ki | = | 4400.0 | nM | 5.36 |
| CHEMBL2323394 | — | Ki | = | 4600.0 | nM | 5.34 |
| CHEMBL2323385 | — | Ki | = | 5300.0 | nM | 5.28 |
| CHEMBL2323402 | — | Ki | = | 6100.0 | nM | 5.21 |
| CHEMBL2323386 | — | Ki | = | 6500.0 | nM | 5.19 |
| CHEMBL2323381 | — | Ki | = | 6400.0 | nM | 5.19 |
| CHEMBL2323384 | — | Ki | = | 6700.0 | nM | 5.17 |
| CHEMBL2323377 | — | Ki | = | 6800.0 | nM | 5.17 |
| CHEMBL2323387 | — | Ki | = | 7100.0 | nM | 5.15 |
| CHEMBL2323378 | — | Ki | = | 7300.0 | nM | 5.14 |
| CHEMBL2323398 | — | Ki | = | 7400.0 | nM | 5.13 |
| CHEMBL2323400 | — | Ki | = | 10600.0 | nM | 4.97 |
| CHEMBL2323379 | — | Ki | = | 17000.0 | nM | 4.77 |
| CHEMBL2323380 | — | Ki | = | 21600.0 | nM | 4.67 |
| CHEMBL2323371 | — | Ki | = | 26800.0 | nM | 4.57 |
| CHEMBL2323399 | — | Ki | = | 32300.0 | nM | 4.49 |
| CHEMBL2323401 | — | Ki | = | 44700.0 | nM | 4.35 |
| CHEMBL2323370 | — | Ki | = | 105000.0 | nM | - |
| CHEMBL2323376 | — | Ki | > | 196000.0 | nM | - |
| CHEMBL2323375 | — | Ki | > | 152000.0 | nM | - |
| CHEMBL2323374 | — | Ki | > | 588000.0 | nM | - |
| CHEMBL2323373 | — | Ki | > | 451000.0 | nM | - |
| CHEMBL2323372 | — | Ki | > | 784000.0 | nM | - |
| CHEMBL316059 | 1,8-NAPHTHALIC ANHYDRIDE | Ki | > | 294000.0 | nM | - |
| CHEMBL2323369 | — | Ki | > | 294000.0 | nM | - |
| CHEMBL2323368 | — | Ki | > | 588000.0 | nM | - |
| CHEMBL1479195 | — | Ki | > | 304000.0 | nM | - |
| CHEMBL2323367 | — | Ki | > | 294000.0 | nM | - |
| CHEMBL2314369 | — | Ki | > | 294000.0 | nM | - |
| CHEMBL2323366 | — | Ki | > | 294000.0 | nM | - |
| CHEMBL2323365 | — | Ki | > | 103000.0 | nM | - |
| CHEMBL2323363 | — | Ki | > | 265000.0 | nM | - |
| CHEMBL2323364 | — | Ki | > | 196000.0 | nM | - |