Assay Detail
Binding
CHEMBL3887129
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Binding Assay: In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the nitrogen. Two mutant channels were also constructed by site-directed mutagenesis. The β-STXo1 data points were collected to demonstrate that STX and its derivatives were oriented similarly within the channel pore. The similar reductions in affinity for STX to β-STXo1 and for cyclohexyl STX to cyclohexyl β-STXo1 provide strong initial evidence that the two molecules both reside in a similar orientation in the channel pore.
12
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Sodium channel protein type 4 subunit alpha (CHEMBL3509) ↗| Type | SINGLE PROTEIN |
| Organism | Rattus norvegicus |
Publication
Methods and compositions for studying, imaging, and treating pain
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 12 | 7.42 | 8.62 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL501134 | SAXITOXIN | — | 1 | 8.62 |
| CHEMBL3910350 | — | — | 1 | 7.82 |
| CHEMBL3970610 | — | — | 1 | 7.72 |
| CHEMBL3983577 | — | — | 1 | 7.65 |
| CHEMBL3953786 | — | — | 1 | 7.58 |
| CHEMBL3898879 | — | — | 1 | 7.34 |
| CHEMBL3977689 | — | — | 1 | 7.26 |
| CHEMBL3964155 | — | — | 1 | 7.08 |
| CHEMBL3962993 | — | — | 1 | 7.06 |
| CHEMBL3894058 | — | — | 1 | 6.87 |
| CHEMBL3896454 | — | — | 2 | 6.64 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL501134 | SAXITOXIN | IC50 | = | 2.4 | nM | 8.62 |
| CHEMBL3910350 | — | IC50 | = | 15.0 | nM | 7.82 |
| CHEMBL3970610 | — | IC50 | = | 19.0 | nM | 7.72 |
| CHEMBL3983577 | — | IC50 | = | 22.5 | nM | 7.65 |
| CHEMBL3953786 | — | IC50 | = | 26.0 | nM | 7.58 |
| CHEMBL3898879 | — | IC50 | = | 46.0 | nM | 7.34 |
| CHEMBL3977689 | — | IC50 | = | 55.0 | nM | 7.26 |
| CHEMBL3964155 | — | IC50 | = | 83.0 | nM | 7.08 |
| CHEMBL3962993 | — | IC50 | = | 87.0 | nM | 7.06 |
| CHEMBL3894058 | — | IC50 | = | 135.0 | nM | 6.87 |
| CHEMBL3896454 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL3896454 | — | IC50 | = | 600000.0 | nM | - |