Assay Detail
Binding
CHEMBL830010
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H-bonding interaction between amino acid residue (Ser-133) 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 | 5.56 | 5.73 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL76768 | GUVACINE | — | 4 | 5.73 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | — | 4 | 5.71 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | — | 4 | 5.68 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | 1.0 | 4 | 5.67 |
| CHEMBL1027 | TIAGABINE | 4.0 | 4 | 5.67 |
| CHEMBL366270 | — | — | 4 | 5.66 |
| CHEMBL363892 | — | — | 4 | 5.44 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL76768 | GUVACINE | IC50 | = | 1850.0 | nM | 5.73 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 1940.0 | nM | 5.71 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 2150.0 | nM | 5.67 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 2120.0 | nM | 5.67 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 2120.0 | nM | 5.67 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 2140.0 | nM | 5.67 |
| CHEMBL366270 | — | IC50 | = | 2180.0 | nM | 5.66 |
| CHEMBL366270 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL76768 | GUVACINE | IC50 | = | 2260.0 | nM | 5.65 |
| CHEMBL366270 | — | IC50 | = | 2610.0 | nM | 5.58 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 2740.0 | nM | 5.56 |
| CHEMBL76768 | GUVACINE | IC50 | = | 2770.0 | nM | 5.56 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 2750.0 | nM | 5.56 |
| CHEMBL366270 | — | IC50 | = | 2840.0 | nM | 5.55 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 2920.0 | nM | 5.54 |
| CHEMBL1027 | TIAGABINE | IC50 | = | 2880.0 | nM | 5.54 |
| CHEMBL77575 | (R)-NIPECOTIC ACID | IC50 | = | 2860.0 | nM | 5.54 |
| CHEMBL76768 | GUVACINE | IC50 | = | 2900.0 | nM | 5.54 |
| CHEMBL96 | GAMMA-AMINOBUTYRIC ACID | IC50 | = | 2880.0 | nM | 5.54 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 2970.0 | nM | 5.53 |
| CHEMBL363892 | — | IC50 | = | 3610.0 | nM | 5.44 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 4140.0 | nM | 5.38 |
| CHEMBL363892 | — | IC50 | = | 4520.0 | nM | 5.34 |
| CHEMBL363892 | — | IC50 | = | 4560.0 | nM | 5.34 |
| CHEMBL77484 | (S)-NIPECOTIC ACID | IC50 | = | 4960.0 | nM | 5.30 |
| CHEMBL363892 | — | IC50 | = | 5050.0 | nM | 5.30 |