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Assay Detail

CHEMBL1058948

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

Binding
Binding affinity to muscarinic M1 receptor
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Intermediate

Target

Muscarinic acetylcholine receptor M1 (CHEMBL216)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinol esters as potent and long-acting muscarinic antagonists with potential for minimal systemic exposure after inhaled administration: identification of (3R)-3-{[hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide (aclidinium bromide).
Prat M, Fernández D, Buil MA, Crespo MI, Casals G, Ferrer M, Tort L, Castro J, Monleón JM, Gavaldà A, Miralpeix M, Ramos I, Doménech T, Vilella D, Antón F, Huerta JM, Espinosa S, López M, Sentellas S, González M, Albertí J, Segarra V, Cárdenas A, Beleta J, Ryder H.
J Med Chem (2009) 52 : 5076 -5092
PubMed 19653626 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 5 9.80 10.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL564057 1 10.10
CHEMBL551466 ACLIDINIUM BROMIDE 4.0 1 10.10
CHEMBL556635 1 10.05
CHEMBL3545181 TIOTROPIUM BROMIDE 4.0 1 9.92
CHEMBL1908368 1 8.82

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL564057 Ki = 0.08 nM 10.10
CHEMBL551466 ACLIDINIUM BROMIDE Ki = 0.08 nM 10.10
CHEMBL556635 Ki = 0.09 nM 10.05
CHEMBL3545181 TIOTROPIUM BROMIDE Ki = 0.12 nM 9.92
CHEMBL1908368 Ki = 1.51 nM 8.82