BDBM50344295 (R)-3-(butyl(phenyl)carbamoyloxy)-1-phenethyl-1-azoniabicyclo[2.2.2]octane bromide::CHEMBL1779134

SMILES: CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1

InChI Key: InChIKey=UCHZYHUKFPSDLQ-RXFKJLCSSA-N

Data: 3 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 3 hits for monomerid = 50344295   

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))	BDBM50344295 ((R)-3-(butyl(phenyl)carbamoyloxy)-1-phenethyl-1-az...) Show SMILES CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1 |r,wD:8.7,(18.9,-16.34,;20.24,-15.57,;21.57,-16.34,;22.91,-15.57,;22.91,-14.03,;24.24,-13.26,;24.24,-11.72,;25.57,-14.03,;26.91,-13.26,;28.24,-14.04,;29.57,-13.27,;30.89,-14.04,;32.23,-13.27,;33.56,-14.04,;33.56,-15.57,;34.89,-16.34,;36.22,-15.57,;36.22,-14.02,;34.88,-13.26,;29.58,-11.73,;28.24,-10.96,;26.9,-11.73,;27.66,-13.05,;28.79,-11.93,;21.57,-13.26,;21.58,-11.72,;20.25,-10.95,;18.91,-11.72,;18.92,-13.27,;20.25,-14.03,)| Show InChI InChI=1S/C26H35N2O2/c1-2-3-17-27(24-12-8-5-9-13-24)26(29)30-25-21-28(19-15-23(25)16-20-28)18-14-22-10-6-4-7-11-22/h4-13,23,25H,2-3,14-21H2,1H3/q+1/t23?,25-,28?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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 CHO-K1 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 3457-61 (2011) Article DOI: 10.1016/j.bmcl.2011.03.096 BindingDB Entry DOI: 10.7270/Q25H7GMV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50344295 ((R)-3-(butyl(phenyl)carbamoyloxy)-1-phenethyl-1-az...) Show SMILES CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1 |r,wD:8.7,(18.9,-16.34,;20.24,-15.57,;21.57,-16.34,;22.91,-15.57,;22.91,-14.03,;24.24,-13.26,;24.24,-11.72,;25.57,-14.03,;26.91,-13.26,;28.24,-14.04,;29.57,-13.27,;30.89,-14.04,;32.23,-13.27,;33.56,-14.04,;33.56,-15.57,;34.89,-16.34,;36.22,-15.57,;36.22,-14.02,;34.88,-13.26,;29.58,-11.73,;28.24,-10.96,;26.9,-11.73,;27.66,-13.05,;28.79,-11.93,;21.57,-13.26,;21.58,-11.72,;20.25,-10.95,;18.91,-11.72,;18.92,-13.27,;20.25,-14.03,)| Show InChI InChI=1S/C26H35N2O2/c1-2-3-17-27(24-12-8-5-9-13-24)26(29)30-25-21-28(19-15-23(25)16-20-28)18-14-22-10-6-4-7-11-22/h4-13,23,25H,2-3,14-21H2,1H3/q+1/t23?,25-,28?/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33.3	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 CHO-K1 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 3457-61 (2011) Article DOI: 10.1016/j.bmcl.2011.03.096 BindingDB Entry DOI: 10.7270/Q25H7GMV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50344295 ((R)-3-(butyl(phenyl)carbamoyloxy)-1-phenethyl-1-az...) Show SMILES CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1 |r,wD:8.7,(18.9,-16.34,;20.24,-15.57,;21.57,-16.34,;22.91,-15.57,;22.91,-14.03,;24.24,-13.26,;24.24,-11.72,;25.57,-14.03,;26.91,-13.26,;28.24,-14.04,;29.57,-13.27,;30.89,-14.04,;32.23,-13.27,;33.56,-14.04,;33.56,-15.57,;34.89,-16.34,;36.22,-15.57,;36.22,-14.02,;34.88,-13.26,;29.58,-11.73,;28.24,-10.96,;26.9,-11.73,;27.66,-13.05,;28.79,-11.93,;21.57,-13.26,;21.58,-11.72,;20.25,-10.95,;18.91,-11.72,;18.92,-13.27,;20.25,-14.03,)| Show InChI InChI=1S/C26H35N2O2/c1-2-3-17-27(24-12-8-5-9-13-24)26(29)30-25-21-28(19-15-23(25)16-20-28)18-14-22-10-6-4-7-11-22/h4-13,23,25H,2-3,14-21H2,1H3/q+1/t23?,25-,28?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	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 CHO-K1 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 3457-61 (2011) Article DOI: 10.1016/j.bmcl.2011.03.096 BindingDB Entry DOI: 10.7270/Q25H7GMV
					More data for this Ligand-Target Pair