Brief Information of the Compound and Protein
Compound Name
 Compound Info 
Tiotropium bromide
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 PubChem ID
SID: 16529220
Canonical SMILES
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12.O.[Br-]
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Compound Formula C19H24BrNO5S2
Compound Structure
Protein Name
 Protein Info 
Muscarinic acetylcholine receptor M3
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Acetylcholine receptor
Uniprot ID
P20309
Gene Name
CHRM3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
Ki = 0.01 nM
   TI
   LI
   LO
   TS
2
Ki = 0.075 nM
   TI
   LI
   LO
   TS
3
Ki = 0.1995 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  5
1
IC50 = 0.05012 nM
   TI
   LI
   LO
   TS
2
IC50 < 0.05012 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.35 nM
   TI
   LI
   LO
   TS
4
IC50 = 0.4 nM
   TI
   LI
   LO
   TS
5
Ki = 0.051 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  4
1
Ki = 0.01 nM
   TI
   LI
   LO
   TS
2
Ki = 0.01585 nM
   TI
   LI
   LO
   TS
3
Ki = 0.01995 nM
   TI
   LI
   LO
   TS
4
Ki = 0.02512 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.14 nM