Assay Detail
Binding
CHEMBL830011
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H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined
28
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 | 28 | 5.65 | 5.78 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL76768 | GUVACINE | — | 4 | 5.78 |
| CHEMBL363892 | — | — | 4 | 5.78 |
| CHEMBL1027 | TIAGABINE | 4.0 | 4 | 5.77 |
| CHEMBL366270 | — | — | 4 | 5.76 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | 1.0 | 4 | 5.75 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | — | 4 | 5.75 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | — | 4 | 5.73 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL76768 | GUVACINE | IC50 | = | 1680.0 | nM | 5.78 |
| CHEMBL363892 | — | IC50 | = | 1670.0 | nM | 5.78 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 1710.0 | nM | 5.77 |
| CHEMBL366270 | — | IC50 | = | 1750.0 | nM | 5.76 |
| CHEMBL363892 | — | IC50 | = | 1730.0 | nM | 5.76 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 1790.0 | nM | 5.75 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 1770.0 | nM | 5.75 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 1830.0 | nM | 5.74 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 1880.0 | nM | 5.73 |
| CHEMBL76768 | GUVACINE | IC50 | = | 1870.0 | nM | 5.73 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 1870.0 | nM | 5.73 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 1970.0 | nM | 5.71 |
| CHEMBL366270 | — | IC50 | = | 2430.0 | nM | 5.61 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 2450.0 | nM | 5.61 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL76768 | GUVACINE | IC50 | = | 2590.0 | nM | 5.59 |
| CHEMBL76768 | GUVACINE | IC50 | = | 2650.0 | nM | 5.58 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL363892 | — | IC50 | = | 2610.0 | nM | 5.58 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 2660.0 | nM | 5.58 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 2630.0 | nM | 5.58 |
| CHEMBL363892 | — | IC50 | = | 2670.0 | nM | 5.57 |
| CHEMBL366270 | — | IC50 | = | 2680.0 | nM | 5.57 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 2760.0 | nM | 5.56 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 2780.0 | nM | 5.56 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 2730.0 | nM | 5.56 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 2780.0 | nM | 5.56 |
| CHEMBL366270 | — | IC50 | = | 3170.0 | nM | 5.50 |