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Assay Detail

CHEMBL1058942

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

Binding
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHOK1 cells by microplate scintillation counting
33
Total Activities
33
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type CHO-K1
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Muscarinic acetylcholine receptor M3 (CHEMBL245)
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
IC50 33 9.16 9.77

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL551466 ACLIDINIUM BROMIDE 4.0 1 9.77
CHEMBL556635 1 9.74
CHEMBL564057 1 9.70
CHEMBL551729 1 9.64
CHEMBL551327 1 9.62
CHEMBL556221 1 9.62
CHEMBL556222 1 9.60
CHEMBL564515 1 9.55
CHEMBL564747 1 9.51
CHEMBL559106 1 9.51
CHEMBL3545181 TIOTROPIUM BROMIDE 4.0 1 9.46
CHEMBL551063 1 9.43
CHEMBL562642 1 9.41
CHEMBL549784 1 9.41
CHEMBL556426 1 9.38
CHEMBL554725 1 9.35
CHEMBL564765 1 9.32
CHEMBL561187 1 9.23
CHEMBL560327 1 9.22
CHEMBL551731 1 9.21
CHEMBL561870 1 9.15
CHEMBL554699 1 9.15
CHEMBL549577 1 9.12
CHEMBL558910 1 9.05
CHEMBL563887 1 9.04
CHEMBL559931 1 9.02
CHEMBL562655 1 8.98
CHEMBL562890 1 8.98
CHEMBL549986 1 8.79
CHEMBL563996 1 8.78

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL551466 ACLIDINIUM BROMIDE IC50 = 0.17 nM 9.77
CHEMBL556635 IC50 = 0.18 nM 9.74
CHEMBL564057 IC50 = 0.2 nM 9.70
CHEMBL551729 IC50 = 0.23 nM 9.64
CHEMBL551327 IC50 = 0.24 nM 9.62
CHEMBL556221 IC50 = 0.24 nM 9.62
CHEMBL556222 IC50 = 0.25 nM 9.60
CHEMBL564515 IC50 = 0.28 nM 9.55
CHEMBL564747 IC50 = 0.31 nM 9.51
CHEMBL559106 IC50 = 0.31 nM 9.51
CHEMBL3545181 TIOTROPIUM BROMIDE IC50 = 0.35 nM 9.46
CHEMBL551063 IC50 = 0.37 nM 9.43
CHEMBL562642 IC50 = 0.39 nM 9.41
CHEMBL549784 IC50 = 0.39 nM 9.41
CHEMBL556426 IC50 = 0.42 nM 9.38
CHEMBL554725 IC50 = 0.45 nM 9.35
CHEMBL564765 IC50 = 0.48 nM 9.32
CHEMBL561187 IC50 = 0.59 nM 9.23
CHEMBL560327 IC50 = 0.6 nM 9.22
CHEMBL551731 IC50 = 0.61 nM 9.21
CHEMBL561870 IC50 = 0.71 nM 9.15
CHEMBL554699 IC50 = 0.7 nM 9.15
CHEMBL549577 IC50 = 0.76 nM 9.12
CHEMBL558910 IC50 = 0.9 nM 9.05
CHEMBL563887 IC50 = 0.92 nM 9.04
CHEMBL559931 IC50 = 0.96 nM 9.02
CHEMBL562655 IC50 = 1.04 nM 8.98
CHEMBL562890 IC50 = 1.04 nM 8.98
CHEMBL549986 IC50 = 1.62 nM 8.79
CHEMBL563996 IC50 = 1.68 nM 8.78
CHEMBL1908368 IC50 = 2.07 nM 8.68
CHEMBL551525 IC50 = 94.0 nM 7.03
CHEMBL556634 IC50 = 200.0 nM 6.70