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Assay Detail

CHEMBL2168993

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

Binding
Displacement of [3H]epibatidine from rat alpha3beta2 nACHR
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Rattus norvegicus
Confidence 7 — Homologous single protein target
Curated By Autocuration

Target

Neuronal acetylcholine receptor; alpha3/beta2 (CHEMBL1907587)
Type PROTEIN COMPLEX
Organism Rattus norvegicus

Publication

Identification of novel α4β2-nicotinic acetylcholine receptor (nAChR) agonists based on an isoxazole ether scaffold that demonstrate antidepressant-like activity.
Yu LF, Tückmantel W, Eaton JB, Caldarone B, Fedolak A, Hanania T, Brunner D, Lukas RJ, Kozikowski AP.
J Med Chem (2012) 55 : 812 -823
PubMed 22148173 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 15 6.46 8.06

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2165444 1 8.06
CHEMBL2165443 1 7.76
CHEMBL3 NICOTINE 4.0 1 7.54
CHEMBL2165440 1 6.91
CHEMBL2165441 1 6.50
CHEMBL2165452 1 6.44
CHEMBL2165442 1 6.43
CHEMBL2165438 1 6.33
CHEMBL2165451 1 6.28
CHEMBL2165446 1 6.00
CHEMBL2165445 1 5.99
CHEMBL2165453 1 5.69
CHEMBL2165448 1 5.39
CHEMBL2165450 1 5.18
CHEMBL2165439 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2165444 Ki = 8.7 nM 8.06
CHEMBL2165443 Ki = 17.3 nM 7.76
CHEMBL3 NICOTINE Ki = 29.0 nM 7.54
CHEMBL2165440 Ki = 123.0 nM 6.91
CHEMBL2165441 Ki = 315.0 nM 6.50
CHEMBL2165452 Ki = 362.0 nM 6.44
CHEMBL2165442 Ki = 370.0 nM 6.43
CHEMBL2165438 Ki = 462.0 nM 6.33
CHEMBL2165451 Ki = 521.0 nM 6.28
CHEMBL2165446 Ki = 990.0 nM 6.00
CHEMBL2165445 Ki = 1030.0 nM 5.99
CHEMBL2165453 Ki = 2040.0 nM 5.69
CHEMBL2165448 Ki = 4100.0 nM 5.39
CHEMBL2165450 Ki = 6670.0 nM 5.18
CHEMBL2165439 Ki - -