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Assay Detail

CHEMBL3366380

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

Binding
Displacement of [3H]-NMS from human muscarinic M2 W422A mutant expressed in Flp-In-CHO cells by liquid scintillation counting
16
Total Activities
16
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

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

Target

Muscarinic acetylcholine receptor M2 (CHEMBL211)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Dualsteric muscarinic antagonists--orthosteric binding pose controls allosteric subtype selectivity.
Schmitz J, van der Mey D, Bermudez M, Klöckner J, Schrage R, Kostenis E, Tränkle C, Wolber G, Mohr K, Holzgrabe U.
J Med Chem (2014) 57 : 6739 -6750
PubMed 25051097 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 13 7.86 9.36
pKA 2 - -
pKi 1 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL376897 METHSCOPOLAMINE 4.0 1 9.36
CHEMBL2449003 ENDO-ATROPINE 1 8.55
CHEMBL569713 SCOPOLAMINE 4.0 1 8.48
CHEMBL3323284 1 8.19
CHEMBL3323283 1 8.16
CHEMBL3323286 1 8.00
CHEMBL3323280 1 7.78
CHEMBL3323287 1 7.71
CHEMBL3323281 1 7.67
CHEMBL3323282 1 7.39
CHEMBL3323279 1 7.26
CHEMBL3121474 1 7.12
CHEMBL3323288 1 6.56
CHEMBL1197177 1 -
CHEMBL266295 1 -
CHEMBL274413 NAPHMETHONIUM 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL376897 METHSCOPOLAMINE Ki = 0.4365 nM 9.36
CHEMBL2449003 ENDO-ATROPINE Ki = 2.818 nM 8.55
CHEMBL569713 SCOPOLAMINE Ki = 3.311 nM 8.48
CHEMBL3323284 Ki = 6.457 nM 8.19
CHEMBL3323283 Ki = 6.918 nM 8.16
CHEMBL3323286 Ki = 10.0 nM 8.00
CHEMBL3323280 Ki = 16.6 nM 7.78
CHEMBL3323287 Ki = 19.5 nM 7.71
CHEMBL3323281 Ki = 21.38 nM 7.67
CHEMBL3323282 Ki = 40.74 nM 7.39
CHEMBL3323279 Ki = 54.95 nM 7.26
CHEMBL3121474 Ki = 75.86 nM 7.12
CHEMBL3323288 Ki = 275.42 nM 6.56
CHEMBL1197177 pKi - -
CHEMBL266295 pKA - -
CHEMBL274413 NAPHMETHONIUM pKA - -