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Assay Detail

CHEMBL3620131

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

Binding
Displacement of [3H]epibatidine from rat alpha4beta4 nACHR expressed in HEK293 cells after 4 hrs by scintillation counting assay
ChEMBL ↗
66
Total Activities
33
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Rattus norvegicus
Cell Type HEK293
Confidence 7 — Homologous single protein target
Curated By Autocuration

Target

Neuronal acetylcholine receptor; alpha4/beta4 (CHEMBL1907595) ↗
Type PROTEIN COMPLEX
Organism Rattus norvegicus

Publication

Exploration of the molecular architecture of the orthosteric binding site in the α4β2 nicotinic acetylcholine receptor with analogs of 3-(dimethylamino)butyl dimethylcarbamate (DMABC) and 1-(pyridin-3-yl)-1,4-diazepane.
Bach TB, Jensen AA, Petersen JG, Sørensen TE, Della Volpe S, Liu J, Blaazer AR, van Muijlwijk-Koezen JE, Balle T, Frølund B.
Eur J Med Chem (2015) 102 : 425 -444
PubMed 26301559 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 66 5.15 7.24

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL667 ACETYLCHOLINE 4.0 2 7.24
CHEMBL122270 LOBELINE 2.0 2 6.92
CHEMBL3616561 — — 2 6.19
CHEMBL3616573 — — 2 5.82
CHEMBL3616574 — — 2 5.80
CHEMBL3616578 — — 2 5.72
CHEMBL3616576 — — 2 5.63
CHEMBL466400 — — 2 5.58
CHEMBL3616575 — — 2 5.47
CHEMBL1090909 — — 2 5.46
CHEMBL3616572 — — 2 5.43
CHEMBL3616577 — — 2 5.42
CHEMBL3616560 — — 2 5.36
CHEMBL3616570 — — 2 5.35
CHEMBL3616559 — — 2 5.31
CHEMBL3616562 — — 2 5.17
CHEMBL1090908 — — 2 5.05
CHEMBL3616568 — — 2 4.52
CHEMBL3616569 — — 2 4.52
CHEMBL3616478 — — 2 4.00
CHEMBL3616553 — — 2 4.00
CHEMBL3616579 — — 2 4.00
CHEMBL3616563 — — 2 4.00
CHEMBL3616571 — — 2 4.00
CHEMBL3616564 — — 2 4.00
CHEMBL3616567 — — 2 4.00
CHEMBL3616558 — — 2 -
CHEMBL3616557 — — 2 -
CHEMBL3616556 — — 2 -
CHEMBL3616555 — — 2 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL667 ACETYLCHOLINE Ki = 57.54 nM 7.24
CHEMBL667 ACETYLCHOLINE Ki = 58.0 nM 7.24
CHEMBL122270 LOBELINE Ki = 120.0 nM 6.92
CHEMBL122270 LOBELINE Ki = 125.89 nM 6.90
CHEMBL3616561 — Ki = 650.0 nM 6.19
CHEMBL3616561 — Ki = 660.69 nM 6.18
CHEMBL3616573 — Ki = 1500.0 nM 5.82
CHEMBL3616573 — Ki = 1513.56 nM 5.82
CHEMBL3616574 — Ki = 1600.0 nM 5.80
CHEMBL3616574 — Ki = 1621.81 nM 5.79
CHEMBL3616578 — Ki = 1905.46 nM 5.72
CHEMBL3616578 — Ki = 1900.0 nM 5.72
CHEMBL3616576 — Ki = 2344.23 nM 5.63
CHEMBL3616576 — Ki = 2400.0 nM 5.62
CHEMBL466400 — Ki = 2630.27 nM 5.58
CHEMBL466400 — Ki = 2600.0 nM 5.58
CHEMBL3616575 — Ki = 3388.44 nM 5.47
CHEMBL3616575 — Ki = 3400.0 nM 5.47
CHEMBL1090909 — Ki = 3500.0 nM 5.46
CHEMBL1090909 — Ki = 3467.37 nM 5.46
CHEMBL3616572 — Ki = 3715.35 nM 5.43
CHEMBL3616572 — Ki = 3700.0 nM 5.43
CHEMBL3616577 — Ki = 3801.89 nM 5.42
CHEMBL3616577 — Ki = 3800.0 nM 5.42
CHEMBL3616560 — Ki = 4400.0 nM 5.36
CHEMBL3616560 — Ki = 4365.16 nM 5.36
CHEMBL3616570 — Ki = 4500.0 nM 5.35
CHEMBL3616559 — Ki = 4900.0 nM 5.31
CHEMBL3616559 — Ki = 4897.79 nM 5.31
CHEMBL3616570 — Ki = 5011.87 nM 5.30
CHEMBL3616562 — Ki = 6760.83 nM 5.17
CHEMBL3616562 — Ki = 6700.0 nM 5.17
CHEMBL1090908 — Ki = 8900.0 nM 5.05
CHEMBL1090908 — Ki = 8912.51 nM 5.05
CHEMBL3616569 — Ki = 30000.0 nM 4.52
CHEMBL3616568 — Ki = 30000.0 nM 4.52
CHEMBL3616568 — Ki = 31622.78 nM 4.50
CHEMBL3616569 — Ki = 31622.78 nM 4.50
CHEMBL3616571 — Ki = 100000.0 nM 4.00
CHEMBL3616571 — Ki = 100000.0 nM 4.00
CHEMBL3616579 — Ki = 100000.0 nM 4.00
CHEMBL3616567 — Ki = 100000.0 nM 4.00
CHEMBL3616478 — Ki = 100000.0 nM 4.00
CHEMBL3616564 — Ki = 100000.0 nM 4.00
CHEMBL3616553 — Ki = 100000.0 nM 4.00
CHEMBL3616563 — Ki = 100000.0 nM 4.00
CHEMBL3616478 — Ki = 100000.0 nM 4.00
CHEMBL3616579 — Ki = 100000.0 nM 4.00
CHEMBL3616564 — Ki = 100000.0 nM 4.00
CHEMBL3616553 — Ki = 100000.0 nM 4.00