Assay Detail
ADMET
CHEMBL3535231
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Binding affinity to CYP2A13 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nm
6
Total Activities
6
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
Evaluation of inhibition selectivity for human cytochrome P450 2A enzymes.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 6 | 5.66 | 6.37 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL151649 | PHENETHYLISOTHIOCYANATE | — | 1 | 6.37 |
| CHEMBL3526658 | — | — | 1 | 6.24 |
| CHEMBL3188333 | — | — | 1 | 6.19 |
| CHEMBL416 | METHOXSALEN | 4.0 | 1 | 5.80 |
| CHEMBL1522291 | NICOTYRINE | — | 1 | 5.09 |
| CHEMBL3 | NICOTINE | 4.0 | 1 | 4.27 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL151649 | PHENETHYLISOTHIOCYANATE | Kd | = | 430.0 | nM | 6.37 |
| CHEMBL3526658 | — | Kd | = | 580.0 | nM | 6.24 |
| CHEMBL3188333 | — | Kd | = | 650.0 | nM | 6.19 |
| CHEMBL416 | METHOXSALEN | Kd | = | 1600.0 | nM | 5.80 |
| CHEMBL1522291 | NICOTYRINE | Kd | = | 8200.0 | nM | 5.09 |
| CHEMBL3 | NICOTINE | Kd | = | 54000.0 | nM | 4.27 |