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Assay Detail

CHEMBL660503

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

Binding
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats
30
Total Activities
30
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Tissue Brain
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Sodium- and chloride-dependent creatine transporter 1 (CHEMBL3814)
Type SINGLE PROTEIN
Organism Rattus norvegicus

Publication

Molecular modeling studies on the active binding site of the blood-brain barrier choline transporter.
Geldenhuys WJ, Lockman PR, McAfee JH, Fitzpatrick KT, Van der Schyf CJ, Allen DD.
Bioorg Med Chem Lett (2004) 14 : 3085 -3092
PubMed 15149650 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 30 4.55 5.64

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL53882 1 5.64
CHEMBL105218 1 4.50
CHEMBL105546 1 4.40
CHEMBL920 CHOLINE 0.5 1 4.38
CHEMBL105667 1 4.35
CHEMBL105536 1 4.03
CHEMBL102289 1 -
CHEMBL276310 1 -
CHEMBL102781 1 -
CHEMBL104586 1 -
CHEMBL104083 1 -
CHEMBL103052 1 -
CHEMBL317449 1 -
CHEMBL104529 1 -
CHEMBL104898 1 -
CHEMBL103048 1 -
CHEMBL104549 1 -
CHEMBL104154 1 -
CHEMBL104897 1 -
CHEMBL316976 1 -
CHEMBL277871 1 -
CHEMBL555023 1 -
CHEMBL104207 1 -
CHEMBL318178 1 -
CHEMBL10731 1 -
CHEMBL105901 1 -
CHEMBL302326 1 -
CHEMBL104943 MONOETHANOLAMINE 2.0 1 -
CHEMBL107582 1 -
CHEMBL105059 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL53882 Ki = 2300.0 nM 5.64
CHEMBL105218 Ki = 32000.0 nM 4.50
CHEMBL105546 Ki = 40000.0 nM 4.40
CHEMBL920 CHOLINE Ki = 42000.0 nM 4.38
CHEMBL105667 Ki = 45000.0 nM 4.35
CHEMBL105536 Ki = 94000.0 nM 4.03
CHEMBL102289 Ki > 10000000.0 nM -
CHEMBL276310 Ki = 200000.0 nM -
CHEMBL102781 Ki > 10000000.0 nM -
CHEMBL104586 Ki = 117000.0 nM -
CHEMBL104083 Ki = 127000.0 nM -
CHEMBL103052 Ki > 10000000.0 nM -
CHEMBL317449 Ki = 162000.0 nM -
CHEMBL104529 Ki = 495000.0 nM -
CHEMBL104898 Ki > 10000000.0 nM -
CHEMBL103048 Ki > 10000000.0 nM -
CHEMBL104549 Ki > 10000000.0 nM -
CHEMBL104154 Ki > 10000000.0 nM -
CHEMBL104897 Ki = 4698000.0 nM -
CHEMBL316976 Ki = 737000.0 nM -
CHEMBL277871 Ki > 10000000.0 nM -
CHEMBL555023 Ki = 1903000.0 nM -
CHEMBL104207 Ki = 5369000.0 nM -
CHEMBL318178 Ki = 574000.0 nM -
CHEMBL10731 Ki = 384000.0 nM -
CHEMBL105901 Ki > 10000000.0 nM -
CHEMBL302326 Ki > 10000000.0 nM -
CHEMBL104943 MONOETHANOLAMINE Ki = 903000.0 nM -
CHEMBL107582 Ki = 200000.0 nM -
CHEMBL105059 Ki = 190000.0 nM -