BDBM50296340 (3R)-3-[(Di-2-thienylacetyl)oxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide::CHEMBL551063::US9333195, 35::US9687478, 35

SMILES: O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1

InChI Key: InChIKey=YIMZVETVJULTMF-VITNCHFBSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50296340   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50296340 ((3R)-3-[(Di-2-thienylacetyl)oxy]-1-(3-phenoxypropy...) Show SMILES O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(18.52,-46.24,;18.51,-44.7,;19.84,-43.93,;21.18,-44.69,;21.18,-46.23,;22.51,-46.99,;22.49,-48.53,;23.82,-49.32,;25.16,-48.56,;26.49,-49.34,;27.83,-48.58,;29.15,-49.37,;30.49,-48.61,;30.51,-47.07,;29.17,-46.29,;27.84,-47.05,;23.84,-46.23,;23.84,-44.69,;22.51,-43.91,;22.93,-45.16,;21.88,-45.51,;17.18,-43.93,;15.84,-44.71,;14.44,-44.09,;13.41,-45.23,;14.18,-46.56,;15.69,-46.24,;17.17,-42.39,;15.92,-41.49,;16.39,-40.03,;17.93,-40.02,;18.41,-41.48,)| Show InChI InChI=1S/C26H30NO3S2/c28-26(25(23-9-4-17-31-23)24-10-5-18-32-24)30-22-19-27(14-11-20(22)12-15-27)13-6-16-29-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,25H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
ALMIRALL, S.A. US Patent					Assay Description The binding of [3H]-NMS to human muscarinic receptors was performed according to Waelbroek et al (1990) (1). Assays were carried out at 25° C. Membra...				US Patent US9333195 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SDB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50296340 ((3R)-3-[(Di-2-thienylacetyl)oxy]-1-(3-phenoxypropy...) Show SMILES O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(18.52,-46.24,;18.51,-44.7,;19.84,-43.93,;21.18,-44.69,;21.18,-46.23,;22.51,-46.99,;22.49,-48.53,;23.82,-49.32,;25.16,-48.56,;26.49,-49.34,;27.83,-48.58,;29.15,-49.37,;30.49,-48.61,;30.51,-47.07,;29.17,-46.29,;27.84,-47.05,;23.84,-46.23,;23.84,-44.69,;22.51,-43.91,;22.93,-45.16,;21.88,-45.51,;17.18,-43.93,;15.84,-44.71,;14.44,-44.09,;13.41,-45.23,;14.18,-46.56,;15.69,-46.24,;17.17,-42.39,;15.92,-41.49,;16.39,-40.03,;17.93,-40.02,;18.41,-41.48,)| Show InChI InChI=1S/C26H30NO3S2/c28-26(25(23-9-4-17-31-23)24-10-5-18-32-24)30-22-19-27(14-11-20(22)12-15-27)13-6-16-29-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,25H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	25
ALMIRALL, S.A. US Patent					Assay Description Assays were carried out at 25° C. Membrane preparations from stably transfected chinese hamster ovary-K1 cells (CHO) expressing the genes for the...				US Patent US9687478 (2017) BindingDB Entry DOI: 10.7270/Q2RV0KV9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50296340 ((3R)-3-[(Di-2-thienylacetyl)oxy]-1-(3-phenoxypropy...) Show SMILES O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(18.52,-46.24,;18.51,-44.7,;19.84,-43.93,;21.18,-44.69,;21.18,-46.23,;22.51,-46.99,;22.49,-48.53,;23.82,-49.32,;25.16,-48.56,;26.49,-49.34,;27.83,-48.58,;29.15,-49.37,;30.49,-48.61,;30.51,-47.07,;29.17,-46.29,;27.84,-47.05,;23.84,-46.23,;23.84,-44.69,;22.51,-43.91,;22.93,-45.16,;21.88,-45.51,;17.18,-43.93,;15.84,-44.71,;14.44,-44.09,;13.41,-45.23,;14.18,-46.56,;15.69,-46.24,;17.17,-42.39,;15.92,-41.49,;16.39,-40.03,;17.93,-40.02,;18.41,-41.48,)| Show InChI InChI=1S/C26H30NO3S2/c28-26(25(23-9-4-17-31-23)24-10-5-18-32-24)30-22-19-27(14-11-20(22)12-15-27)13-6-16-29-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,25H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHOK1 cells by microplate scintillation counting				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50296340 ((3R)-3-[(Di-2-thienylacetyl)oxy]-1-(3-phenoxypropy...) Show SMILES O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(18.52,-46.24,;18.51,-44.7,;19.84,-43.93,;21.18,-44.69,;21.18,-46.23,;22.51,-46.99,;22.49,-48.53,;23.82,-49.32,;25.16,-48.56,;26.49,-49.34,;27.83,-48.58,;29.15,-49.37,;30.49,-48.61,;30.51,-47.07,;29.17,-46.29,;27.84,-47.05,;23.84,-46.23,;23.84,-44.69,;22.51,-43.91,;22.93,-45.16,;21.88,-45.51,;17.18,-43.93,;15.84,-44.71,;14.44,-44.09,;13.41,-45.23,;14.18,-46.56,;15.69,-46.24,;17.17,-42.39,;15.92,-41.49,;16.39,-40.03,;17.93,-40.02,;18.41,-41.48,)| Show InChI InChI=1S/C26H30NO3S2/c28-26(25(23-9-4-17-31-23)24-10-5-18-32-24)30-22-19-27(14-11-20(22)12-15-27)13-6-16-29-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,25H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHOK1 cells by microplate scintillation counting				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50296340 ((3R)-3-[(Di-2-thienylacetyl)oxy]-1-(3-phenoxypropy...) Show SMILES O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(18.52,-46.24,;18.51,-44.7,;19.84,-43.93,;21.18,-44.69,;21.18,-46.23,;22.51,-46.99,;22.49,-48.53,;23.82,-49.32,;25.16,-48.56,;26.49,-49.34,;27.83,-48.58,;29.15,-49.37,;30.49,-48.61,;30.51,-47.07,;29.17,-46.29,;27.84,-47.05,;23.84,-46.23,;23.84,-44.69,;22.51,-43.91,;22.93,-45.16,;21.88,-45.51,;17.18,-43.93,;15.84,-44.71,;14.44,-44.09,;13.41,-45.23,;14.18,-46.56,;15.69,-46.24,;17.17,-42.39,;15.92,-41.49,;16.39,-40.03,;17.93,-40.02,;18.41,-41.48,)| Show InChI InChI=1S/C26H30NO3S2/c28-26(25(23-9-4-17-31-23)24-10-5-18-32-24)30-22-19-27(14-11-20(22)12-15-27)13-6-16-29-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,25H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair