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Assay Detail

CHEMBL5442210

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

Binding
PDSP Secondary Binding target: CHRM3 - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity.
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Category PDSP assay
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Muscarinic acetylcholine receptor M3 (CHEMBL245)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

EUbOPEN Chemogenomics Library - PDSP Secondary Binding
EUbOPEN
(2024)
· DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 14 6.63 9.48

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3545181 TIOTROPIUM BROMIDE 4.0 1 9.48
CHEMBL543113 1 8.23
CHEMBL1722209 TOLTERODINE TARTRATE 4.0 1 7.86
CHEMBL43383 1 6.82
CHEMBL59898 1 6.76
CHEMBL360648 1 6.15
CHEMBL4743049 1 6.07
CHEMBL281350 SB-224289 1 6.03
CHEMBL1633 KETOTIFEN FUMARATE 4.0 1 6.00
CHEMBL1474387 1 5.94
CHEMBL2048820 1 5.82
CHEMBL405355 NIGULDIPINE 2.0 1 5.67
CHEMBL214957 1 5.38
CHEMBL1200809 AZELASTINE HYDROCHLORIDE 4.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3545181 TIOTROPIUM BROMIDE Ki = 0.3298 nM 9.48
CHEMBL543113 Ki = 5.82 nM 8.23
CHEMBL1722209 TOLTERODINE TARTRATE Ki = 13.75 nM 7.86
CHEMBL43383 Ki = 152.23 nM 6.82
CHEMBL59898 Ki = 172.9 nM 6.76
CHEMBL360648 Ki = 706.8 nM 6.15
CHEMBL4743049 Ki = 850.84 nM 6.07
CHEMBL281350 SB-224289 Ki = 926.08 nM 6.03
CHEMBL1633 KETOTIFEN FUMARATE Ki = 995.75 nM 6.00
CHEMBL1474387 Ki = 1138.54 nM 5.94
CHEMBL2048820 Ki = 1527.21 nM 5.82
CHEMBL405355 NIGULDIPINE Ki = 2148.08 nM 5.67
CHEMBL214957 Ki = 4131.43 nM 5.38
CHEMBL1200809 AZELASTINE HYDROCHLORIDE Ki > 10000.0 nM -