Assay Detail
ADMET
CHEMBL4334806
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Inhibition of recombinant human CYP1A1 expressed in supersomes using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Development of benzochalcone derivatives as selective CYP1B1 inhibitors and anticancer agents.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 21 | 6.57 | 7.29 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4563547 | — | — | 1 | 7.29 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | — | 1 | 7.09 |
| CHEMBL4559128 | — | — | 1 | 6.93 |
| CHEMBL4454231 | — | — | 1 | 6.79 |
| CHEMBL4468505 | — | — | 1 | 6.66 |
| CHEMBL4566759 | — | — | 1 | 6.60 |
| CHEMBL4473797 | — | — | 1 | 6.54 |
| CHEMBL4469707 | — | — | 1 | 6.52 |
| CHEMBL4449722 | — | — | 1 | 6.51 |
| CHEMBL4581268 | — | — | 1 | 6.48 |
| CHEMBL4476356 | — | — | 1 | 6.44 |
| CHEMBL1935214 | — | — | 1 | 6.40 |
| CHEMBL4566283 | — | — | 1 | 6.36 |
| CHEMBL4518018 | — | — | 1 | 6.30 |
| CHEMBL1935213 | — | — | 1 | 6.28 |
| CHEMBL4445947 | — | — | 1 | 6.27 |
| CHEMBL4514655 | — | — | 1 | 6.25 |
| CHEMBL4554686 | — | — | 1 | - |
| CHEMBL17200 | — | — | 1 | - |
| CHEMBL4549846 | — | — | 1 | - |
| CHEMBL1935209 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4563547 | — | IC50 | = | 51.8 | nM | 7.29 |
| CHEMBL283196 | ALPHA-NAPHTHOFLAVONE | IC50 | = | 80.3 | nM | 7.09 |
| CHEMBL4559128 | — | IC50 | = | 117.1 | nM | 6.93 |
| CHEMBL4454231 | — | IC50 | = | 161.3 | nM | 6.79 |
| CHEMBL4468505 | — | IC50 | = | 220.5 | nM | 6.66 |
| CHEMBL4566759 | — | IC50 | = | 250.0 | nM | 6.60 |
| CHEMBL4473797 | — | IC50 | = | 285.8 | nM | 6.54 |
| CHEMBL4469707 | — | IC50 | = | 300.9 | nM | 6.52 |
| CHEMBL4449722 | — | IC50 | = | 306.4 | nM | 6.51 |
| CHEMBL4581268 | — | IC50 | = | 330.0 | nM | 6.48 |
| CHEMBL4476356 | — | IC50 | = | 364.7 | nM | 6.44 |
| CHEMBL1935214 | — | IC50 | = | 401.2 | nM | 6.40 |
| CHEMBL4566283 | — | IC50 | = | 434.9 | nM | 6.36 |
| CHEMBL4518018 | — | IC50 | = | 499.0 | nM | 6.30 |
| CHEMBL1935213 | — | IC50 | = | 529.0 | nM | 6.28 |
| CHEMBL4445947 | — | IC50 | = | 532.6 | nM | 6.27 |
| CHEMBL4514655 | — | IC50 | = | 556.6 | nM | 6.25 |
| CHEMBL4554686 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL17200 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4549846 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL1935209 | — | IC50 | > | 1000.0 | nM | - |