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Assay Detail

CHEMBL2168995

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

Binding
Displacement of [3H]epibatidine from rat alpha4beta2 nACHR
17
Total Activities
17
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; alpha4/beta2 (CHEMBL1907596)
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 17 7.75 10.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1076903 VARENICLINE 4.0 1 10.30
CHEMBL59986 1 10.30
CHEMBL2165444 1 8.34
CHEMBL3 NICOTINE 4.0 1 8.31
CHEMBL2165443 1 8.14
CHEMBL274525 ABT-418 1 8.13
CHEMBL2165442 1 7.88
CHEMBL2165440 1 7.71
CHEMBL2165452 1 7.62
CHEMBL2165441 1 7.51
CHEMBL2165439 1 7.31
CHEMBL2165438 1 7.12
CHEMBL2165445 1 6.89
CHEMBL2165451 1 6.86
CHEMBL2165453 1 6.80
CHEMBL2165446 1 6.75
CHEMBL2165450 1 5.71

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1076903 VARENICLINE Ki = 0.05 nM 10.30
CHEMBL59986 Ki = 0.05 nM 10.30
CHEMBL2165444 Ki = 4.6 nM 8.34
CHEMBL3 NICOTINE Ki = 4.9 nM 8.31
CHEMBL2165443 Ki = 7.3 nM 8.14
CHEMBL274525 ABT-418 Ki = 7.4 nM 8.13
CHEMBL2165442 Ki = 13.1 nM 7.88
CHEMBL2165440 Ki = 19.7 nM 7.71
CHEMBL2165452 Ki = 23.8 nM 7.62
CHEMBL2165441 Ki = 31.2 nM 7.51
CHEMBL2165439 Ki = 49.0 nM 7.31
CHEMBL2165438 Ki = 75.9 nM 7.12
CHEMBL2165445 Ki = 129.0 nM 6.89
CHEMBL2165451 Ki = 137.0 nM 6.86
CHEMBL2165453 Ki = 160.0 nM 6.80
CHEMBL2165446 Ki = 176.0 nM 6.75
CHEMBL2165450 Ki = 1950.0 nM 5.71