BDBM50581210 IPRATROPIUM::Ipratropium::Ipratropium cation::Ipratropium ion

SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C

InChI Key InChIKey=OEXHQOGQTVQTAT-BHIXFJMTSA-N

Data  2 KI

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50581210   

TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581210(IPRATROPIUM | Ipratropium | Ipratropium cation | I...)
Show SMILES CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21?
Affinity DataKi:  0.794nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581210(IPRATROPIUM | Ipratropium | Ipratropium cation | I...)
Show SMILES CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21?
Affinity DataKi:  0.794nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M2 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair