Assay Detail
Binding
CHEMBL830009
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H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound
20
Total Activities
5
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 | 20 | 5.65 | 5.79 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | 1.0 | 4 | 5.79 |
| CHEMBL76768 | GUVACINE | — | 4 | 5.78 |
| CHEMBL1027 | TIAGABINE | 4.0 | 4 | 5.75 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | — | 4 | 5.74 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | — | 4 | 5.72 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 1620.0 | nM | 5.79 |
| CHEMBL76768 | GUVACINE | IC50 | = | 1680.0 | nM | 5.78 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 1800.0 | nM | 5.75 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 1780.0 | nM | 5.75 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 1830.0 | nM | 5.74 |
| CHEMBL76768 | GUVACINE | IC50 | = | 1910.0 | nM | 5.72 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 1950.0 | nM | 5.71 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 2130.0 | nM | 5.67 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 2210.0 | nM | 5.66 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 2520.0 | nM | 5.60 |
| CHEMBL76768 | GUVACINE | IC50 | = | 2560.0 | nM | 5.59 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 2660.0 | nM | 5.58 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 2640.0 | nM | 5.58 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 2690.0 | nM | 5.57 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 2720.0 | nM | 5.57 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 2730.0 | nM | 5.56 |
| CHEMBL76768 | GUVACINE | IC50 | = | 2790.0 | nM | 5.55 |