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Assay Detail

CHEMBL4031697

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
41
Total Activities
33
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Sodium- and chloride-dependent betaine transporter (CHEMBL3715)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-Activity Relationship, Pharmacological Characterization, and Molecular Modeling of Noncompetitive Inhibitors of the Betaine/γ-Aminobutyric Acid Transporter 1 (BGT1).
Jørgensen L, Al-Khawaja A, Kickinger S, Vogensen SB, Skovgaard-Petersen J, Rosenthal E, Borkar N, Löffler R, Madsen KK, Bräuner-Osborne H, Schousboe A, Ecker GF, Wellendorph P, Clausen RP.
J Med Chem (2017) 60 : 8834 -8846
PubMed 28991462 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 39 4.38 4.87
Ki 2 4.60 4.82

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1882801 2 4.87
CHEMBL228972 1 4.82
CHEMBL96 GAMMA-AMINOBUTYRIC ACID 1.0 2 4.75
CHEMBL4060376 2 4.39
CHEMBL4068983 1 4.38
CHEMBL123282 2 4.04
CHEMBL4080696 2 4.00
CHEMBL4101561 1 -
CHEMBL4075865 1 -
CHEMBL4079046 1 -
CHEMBL4090080 1 -
CHEMBL4070660 1 -
CHEMBL4097791 1 -
CHEMBL4091409 1 -
CHEMBL4069676 1 -
CHEMBL4102978 1 -
CHEMBL4072002 1 -
CHEMBL4075412 1 -
CHEMBL4063054 1 -
CHEMBL4071982 1 -
CHEMBL4072046 1 -
CHEMBL4097124 1 -
CHEMBL4070193 1 -
CHEMBL4089518 1 -
CHEMBL1603838 2 -
CHEMBL1710951 2 -
CHEMBL4078727 2 -
CHEMBL4072452 1 -
CHEMBL4066152 1 -
CHEMBL4069761 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1882801 IC50 = 13489.63 nM 4.87
CHEMBL228972 Ki = 15000.0 nM 4.82
CHEMBL1882801 IC50 = 18000.0 nM 4.75
CHEMBL96 GAMMA-AMINOBUTYRIC ACID IC50 = 17782.79 nM 4.75
CHEMBL96 GAMMA-AMINOBUTYRIC ACID IC50 = 25000.0 nM 4.60
CHEMBL4060376 IC50 = 40738.03 nM 4.39
CHEMBL4068983 Ki = 42000.0 nM 4.38
CHEMBL4060376 IC50 = 44000.0 nM 4.36
CHEMBL123282 IC50 = 91201.08 nM 4.04
CHEMBL123282 IC50 = 91000.0 nM 4.04
CHEMBL4080696 IC50 = 100000.0 nM 4.00
CHEMBL4080696 IC50 = 100000.0 nM 4.00
CHEMBL4076258 IC50 > 1000000.0 nM -
CHEMBL4071982 IC50 > 100000.0 nM -
CHEMBL4075865 IC50 > 1000000.0 nM -
CHEMBL4075412 IC50 > 1000000.0 nM -
CHEMBL4072002 IC50 > 1000000.0 nM -
CHEMBL4102978 IC50 > 100000.0 nM -
CHEMBL4072452 IC50 > 1000000.0 nM -
CHEMBL4091409 IC50 > 50000.0 nM -
CHEMBL4097791 IC50 > 50000.0 nM -
CHEMBL4070660 IC50 > 100000.0 nM -
CHEMBL4090080 IC50 > 100000.0 nM -
CHEMBL4079046 IC50 > 1000000.0 nM -
CHEMBL4069761 IC50 > 1000000.0 nM -
CHEMBL4063054 IC50 > 1000000.0 nM -
CHEMBL4077212 IC50 > 1000000.0 nM -
CHEMBL4075423 IC50 > 1000000.0 nM -
CHEMBL4101561 IC50 > 1000000.0 nM -
CHEMBL4069676 IC50 > 100000.0 nM -
CHEMBL4066152 IC50 > 1000000.0 nM -
CHEMBL4078727 IC50 = 170000.0 nM -
CHEMBL4078727 IC50 = 169824.37 nM -
CHEMBL1710951 IC50 = 180000.0 nM -
CHEMBL1710951 IC50 = 181970.09 nM -
CHEMBL1603838 IC50 = 290000.0 nM -
CHEMBL1603838 IC50 = 295120.92 nM -
CHEMBL4089518 IC50 > 1000000.0 nM -
CHEMBL4070193 IC50 > 100000.0 nM -
CHEMBL4072046 IC50 > 50000.0 nM -
CHEMBL4097124 IC50 > 50000.0 nM -