Assay Detail
ADMET
CHEMBL999388
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Inhibition of human recombinant CYP1A2
41
Total Activities
21
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 40 | 4.81 | 6.05 |
| log(1/IC50) | 1 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL274993 | 2,6-DIBENZYLIDENECYCLOHEXANONE | — | 2 | 6.05 |
| CHEMBL404678 | — | — | 2 | 5.58 |
| CHEMBL503570 | — | — | 2 | 5.47 |
| CHEMBL497783 | — | — | 2 | 5.47 |
| CHEMBL17201 | — | — | 2 | 5.43 |
| CHEMBL498591 | — | — | 2 | 5.40 |
| CHEMBL498193 | — | — | 2 | 4.98 |
| CHEMBL482410 | — | — | 2 | 4.96 |
| CHEMBL502160 | — | — | 2 | 4.68 |
| CHEMBL496321 | — | — | 2 | 4.58 |
| CHEMBL498371 | — | — | 2 | 4.55 |
| CHEMBL498590 | — | — | 2 | 4.55 |
| CHEMBL407034 | — | — | 2 | 4.52 |
| CHEMBL151734 | — | — | 2 | 4.44 |
| CHEMBL497137 | — | — | 2 | 4.43 |
| CHEMBL270361 | — | — | 2 | 4.41 |
| CHEMBL140 | CURCUMIN | 3.0 | 1 | 4.40 |
| CHEMBL128729 | — | — | 2 | 4.38 |
| CHEMBL498372 | — | — | 2 | 4.37 |
| CHEMBL452101 | — | — | 2 | 4.34 |
| CHEMBL493001 | — | — | 2 | 4.12 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL274993 | 2,6-DIBENZYLIDENECYCLOHEXANONE | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL404678 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL497783 | — | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL503570 | — | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL17201 | — | IC50 | = | 3700.0 | nM | 5.43 |
| CHEMBL498591 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL498193 | — | IC50 | = | 10400.0 | nM | 4.98 |
| CHEMBL482410 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL502160 | — | IC50 | = | 21000.0 | nM | 4.68 |
| CHEMBL496321 | — | IC50 | = | 26600.0 | nM | 4.58 |
| CHEMBL498590 | — | IC50 | = | 28000.0 | nM | 4.55 |
| CHEMBL498371 | — | IC50 | = | 28400.0 | nM | 4.55 |
| CHEMBL407034 | — | IC50 | = | 30400.0 | nM | 4.52 |
| CHEMBL151734 | — | IC50 | = | 36600.0 | nM | 4.44 |
| CHEMBL497137 | — | IC50 | = | 36700.0 | nM | 4.43 |
| CHEMBL270361 | — | IC50 | = | 38900.0 | nM | 4.41 |
| CHEMBL140 | CURCUMIN | IC50 | = | 40000.0 | nM | 4.40 |
| CHEMBL128729 | — | IC50 | = | 41500.0 | nM | 4.38 |
| CHEMBL498372 | — | IC50 | = | 42800.0 | nM | 4.37 |
| CHEMBL452101 | — | IC50 | = | 45600.0 | nM | 4.34 |
| CHEMBL493001 | — | IC50 | = | 75200.0 | nM | 4.12 |
| CHEMBL274993 | 2,6-DIBENZYLIDENECYCLOHEXANONE | IC50 | = | 899497.58 | nM | - |
| CHEMBL482410 | — | IC50 | = | 10990058.39 | nM | - |
| CHEMBL502160 | — | IC50 | = | 20989398.84 | nM | - |
| CHEMBL498193 | — | IC50 | = | 10399201.66 | nM | - |
| CHEMBL404678 | — | IC50 | = | 2600159.56 | nM | - |
| CHEMBL503570 | — | IC50 | = | 3396252.73 | nM | - |
| CHEMBL452101 | — | IC50 | = | 45603691.6 | nM | - |
| CHEMBL270361 | — | IC50 | = | 38904514.5 | nM | - |
| CHEMBL151734 | — | IC50 | = | 36559479.16 | nM | - |
| CHEMBL497137 | — | IC50 | = | 36728230.05 | nM | - |
| CHEMBL498371 | — | IC50 | = | 28379190.28 | nM | - |
| CHEMBL498372 | — | IC50 | = | 42756288.62 | nM | - |
| CHEMBL128729 | — | IC50 | = | 41495404.26 | nM | - |
| CHEMBL17201 | — | IC50 | = | 3698281.8 | nM | - |
| CHEMBL496321 | — | IC50 | = | 26607250.6 | nM | - |
| CHEMBL498590 | — | IC50 | = | 27989813.2 | nM | - |
| CHEMBL498591 | — | IC50 | = | 3999447.5 | nM | - |
| CHEMBL497783 | — | IC50 | = | 3396252.73 | nM | - |
| CHEMBL407034 | — | IC50 | = | 30408850.26 | nM | - |
| CHEMBL493001 | — | log(1/IC50) | = | 1.124 | mM | - |