Assay Detail
Binding
CHEMBL831438
Review assay metadata, readout intent, target linkage, and publication context from the same page.
H-bonding interaction between amino acid residue (Thr-89) of Sodium- and chloride-dependent GABA transporter 1TM2 and compound
14
Total Activities
7
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Rattus norvegicus |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Target
Sodium- and chloride-dependent GABA transporter 1 (CHEMBL4054) ↗| Type | SINGLE PROTEIN |
| Organism | Rattus norvegicus |
Publication
Novel secoergoline derivatives inhibit both GABA and glutamate uptake in rat brain homogenates: synthesis, in vitro pharmacology, and modeling.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 14 | 5.61 | 5.75 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL76768 | GUVACINE | — | 2 | 5.75 |
| CHEMBL1027 | TIAGABINE | 4.0 | 2 | 5.75 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | 1.0 | 2 | 5.71 |
| CHEMBL366270 | — | — | 2 | 5.71 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | — | 2 | 5.67 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | — | 2 | 5.60 |
| CHEMBL363892 | — | — | 2 | 5.52 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL76768 | GUVACINE | IC50 | = | 1760.0 | nM | 5.75 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 1790.0 | nM | 5.75 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 1970.0 | nM | 5.71 |
| CHEMBL366270 | — | IC50 | = | 1930.0 | nM | 5.71 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 2140.0 | nM | 5.67 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 2490.0 | nM | 5.60 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 2560.0 | nM | 5.59 |
| CHEMBL76768 | GUVACINE | IC50 | = | 2660.0 | nM | 5.58 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 2680.0 | nM | 5.57 |
| CHEMBL366270 | — | IC50 | = | 2680.0 | nM | 5.57 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 2880.0 | nM | 5.54 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 2950.0 | nM | 5.53 |
| CHEMBL363892 | — | IC50 | = | 2990.0 | nM | 5.52 |
| CHEMBL363892 | — | IC50 | = | 3600.0 | nM | 5.44 |