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Assay Detail

CHEMBL3366379

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

Binding
Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H 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 12 8.13 9.48
pKi 2 - -
pKA 2 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL376897 METHSCOPOLAMINE 4.0 1 9.48
CHEMBL3323286 1 8.66
CHEMBL3323281 1 8.55
CHEMBL3323284 1 8.48
CHEMBL569713 SCOPOLAMINE 4.0 1 8.45
CHEMBL2449003 ENDO-ATROPINE 1 8.34
CHEMBL3323280 1 8.27
CHEMBL3323283 1 8.15
CHEMBL3323279 1 7.74
CHEMBL3323287 1 7.57
CHEMBL3323288 1 7.19
CHEMBL3121474 1 6.70
CHEMBL1197177 1 -
CHEMBL3323282 1 -
CHEMBL266295 1 -
CHEMBL274413 NAPHMETHONIUM 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL376897 METHSCOPOLAMINE Ki = 0.3311 nM 9.48
CHEMBL3323286 Ki = 2.188 nM 8.66
CHEMBL3323281 Ki = 2.818 nM 8.55
CHEMBL3323284 Ki = 3.311 nM 8.48
CHEMBL569713 SCOPOLAMINE Ki = 3.548 nM 8.45
CHEMBL2449003 ENDO-ATROPINE Ki = 4.571 nM 8.34
CHEMBL3323280 Ki = 5.37 nM 8.27
CHEMBL3323283 Ki = 7.079 nM 8.15
CHEMBL3323279 Ki = 18.2 nM 7.74
CHEMBL3323287 Ki = 26.92 nM 7.57
CHEMBL3323288 Ki = 64.57 nM 7.19
CHEMBL3121474 Ki = 199.53 nM 6.70
CHEMBL1197177 pKi - -
CHEMBL3323282 pKi - -
CHEMBL266295 pKA = 5.47 -
CHEMBL274413 NAPHMETHONIUM pKA = 5.82 -