Assay Detail
Binding
CHEMBL2329009
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Inhibition of human thymidylate synthase A
45
Total Activities
45
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct 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 | 5.41 | 6.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2323396 | — | — | 1 | 6.52 |
| CHEMBL2323388 | — | — | 1 | 6.52 |
| CHEMBL2323391 | — | — | 1 | 6.30 |
| CHEMBL2323403 | — | — | 1 | 6.22 |
| CHEMBL2323362 | — | — | 1 | 6.10 |
| CHEMBL2323395 | — | — | 1 | 6.10 |
| CHEMBL2323392 | — | — | 1 | 6.05 |
| CHEMBL2323389 | — | — | 1 | 5.96 |
| CHEMBL2323394 | — | — | 1 | 5.92 |
| CHEMBL2323393 | — | — | 1 | 5.89 |
| CHEMBL2323390 | — | — | 1 | 5.89 |
| CHEMBL2323371 | — | — | 1 | 5.70 |
| CHEMBL316059 | 1,8-NAPHTHALIC ANHYDRIDE | — | 1 | 5.70 |
| CHEMBL2323378 | — | — | 1 | 5.64 |
| CHEMBL2323367 | — | — | 1 | 5.51 |
| CHEMBL2323364 | — | — | 1 | 5.51 |
| CHEMBL2323363 | — | — | 1 | 5.38 |
| CHEMBL2323397 | — | — | 1 | 5.30 |
| CHEMBL2323370 | — | — | 1 | 5.14 |
| CHEMBL2323374 | — | — | 1 | 4.92 |
| CHEMBL2323384 | — | — | 1 | 4.91 |
| CHEMBL2323385 | — | — | 1 | 4.86 |
| CHEMBL2323387 | — | — | 1 | 4.79 |
| CHEMBL2323379 | — | — | 1 | 4.76 |
| CHEMBL2323402 | — | — | 1 | 4.59 |
| CHEMBL2323383 | — | — | 1 | 4.59 |
| CHEMBL2323368 | — | — | 1 | 4.48 |
| CHEMBL2323382 | — | — | 1 | 4.35 |
| CHEMBL1479195 | — | — | 1 | 4.33 |
| CHEMBL2323398 | — | — | 1 | 4.24 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2323396 | — | Ki | = | 300.0 | nM | 6.52 |
| CHEMBL2323388 | — | Ki | = | 300.0 | nM | 6.52 |
| CHEMBL2323391 | — | Ki | = | 500.0 | nM | 6.30 |
| CHEMBL2323403 | — | Ki | = | 600.0 | nM | 6.22 |
| CHEMBL2323362 | — | Ki | = | 800.0 | nM | 6.10 |
| CHEMBL2323395 | — | Ki | = | 800.0 | nM | 6.10 |
| CHEMBL2323392 | — | Ki | = | 900.0 | nM | 6.05 |
| CHEMBL2323389 | — | Ki | = | 1100.0 | nM | 5.96 |
| CHEMBL2323394 | — | Ki | = | 1200.0 | nM | 5.92 |
| CHEMBL2323393 | — | Ki | = | 1300.0 | nM | 5.89 |
| CHEMBL2323390 | — | Ki | = | 1300.0 | nM | 5.89 |
| CHEMBL316059 | 1,8-NAPHTHALIC ANHYDRIDE | Ki | = | 2000.0 | nM | 5.70 |
| CHEMBL2323371 | — | Ki | = | 2000.0 | nM | 5.70 |
| CHEMBL2323378 | — | Ki | = | 2300.0 | nM | 5.64 |
| CHEMBL2323364 | — | Ki | = | 3100.0 | nM | 5.51 |
| CHEMBL2323367 | — | Ki | = | 3100.0 | nM | 5.51 |
| CHEMBL2323363 | — | Ki | = | 4200.0 | nM | 5.38 |
| CHEMBL2323397 | — | Ki | = | 5000.0 | nM | 5.30 |
| CHEMBL2323370 | — | Ki | = | 7300.0 | nM | 5.14 |
| CHEMBL2323374 | — | Ki | = | 12000.0 | nM | 4.92 |
| CHEMBL2323384 | — | Ki | = | 12300.0 | nM | 4.91 |
| CHEMBL2323385 | — | Ki | = | 13800.0 | nM | 4.86 |
| CHEMBL2323387 | — | Ki | = | 16200.0 | nM | 4.79 |
| CHEMBL2323379 | — | Ki | = | 17300.0 | nM | 4.76 |
| CHEMBL2323402 | — | Ki | = | 25900.0 | nM | 4.59 |
| CHEMBL2323383 | — | Ki | = | 25400.0 | nM | 4.59 |
| CHEMBL2323368 | — | Ki | = | 33000.0 | nM | 4.48 |
| CHEMBL2323382 | — | Ki | = | 44600.0 | nM | 4.35 |
| CHEMBL1479195 | — | Ki | = | 47000.0 | nM | 4.33 |
| CHEMBL2323398 | — | Ki | = | 57200.0 | nM | 4.24 |
| CHEMBL2323401 | — | Ki | > | 826000.0 | nM | - |
| CHEMBL2323400 | — | Ki | > | 206000.0 | nM | - |
| CHEMBL2323399 | — | Ki | > | 616000.0 | nM | - |
| CHEMBL2323386 | — | Ki | > | 411000.0 | nM | - |
| CHEMBL2323381 | — | Ki | > | 206000.0 | nM | - |
| CHEMBL2323380 | — | Ki | > | 823000.0 | nM | - |
| CHEMBL2323377 | — | Ki | > | 412000.0 | nM | - |
| CHEMBL2323376 | — | Ki | > | 206000.0 | nM | - |
| CHEMBL2323375 | — | Ki | > | 160000.0 | nM | - |
| CHEMBL2323373 | — | Ki | > | 474000.0 | nM | - |
| CHEMBL2323372 | — | Ki | > | 824000.0 | nM | - |
| CHEMBL2323369 | — | Ki | > | 309000.0 | nM | - |
| CHEMBL2314369 | — | Ki | > | 309000.0 | nM | - |
| CHEMBL2323366 | — | Ki | > | 309000.0 | nM | - |
| CHEMBL2323365 | — | Ki | > | 98000.0 | nM | - |