Ki Summary

Reaction Details

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Target

Muscarinic acetylcholine receptor M2

Ligand

BDBM50296333

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_581961 (CHEMBL1058941)

IC50

0.54±n/a nM

Citation

Prat, M; Fernández, D; Buil, MA; Crespo, MI; Casals, G; Ferrer, M; Tort, L; Castro, J; Monleón, JM; Gavaldà, A; Miralpeix, M; Ramos, I; Doménech, T; Vilella, D; Antón, F; Huerta, JM; Espinosa, S; López, M; Sentellas, S; González, M; Albertí, J; Segarra, V; Cárdenas, A; Beleta, J; Ryder, H Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinol esters as potent and long-acting muscarinic antagonists with potential for minimal systemic exposure after inhaled administration: identification of (3R)-3-{[hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo J Med Chem52:5076-92 (2010) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Muscarinic acetylcholine receptor M2

Name:

Muscarinic acetylcholine receptor M2

Synonyms:

Type:

GPCR

Mol. Mass.:

51730.61

Organism:

Homo sapiens (Human)

Description:

P08172

Residue:

466

Sequence:

MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNY
FLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFD
RYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQF
FSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRI
VKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDE
ITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNI
VARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNT
VWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR

BDBM50296333

n/a

Name

BDBM50296333

Synonyms:

(3R)-3-{[(9-Hydroxy-9H-xanthen-9-yl)carbonyl]oxy}-1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octane bromide | CHEMBL564515 | US9333195, 137

Type

Small organic molecule

Emp. Form.

C29H30NO4

Mol. Mass.

456.5523

SMILES

OC1(C(=O)O[C@H]2C[N+]3(CCc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc12 |r,wD:5.4,(13.02,-.29,;11.69,-1.07,;13.03,-1.84,;13.03,-3.38,;14.36,-1.06,;15.7,-1.83,;15.7,-3.37,;17.03,-4.13,;17.01,-5.67,;18.34,-6.45,;19.68,-5.7,;21,-6.48,;22.34,-5.73,;22.36,-4.18,;21.02,-3.4,;19.69,-4.16,;18.36,-3.37,;18.36,-1.83,;17.03,-1.05,;17.45,-2.29,;16.4,-2.64,;10.36,-1.84,;10.36,-3.37,;9.03,-4.14,;7.69,-3.37,;7.7,-1.83,;9.03,-1.07,;9.02,.47,;10.36,1.24,;10.35,2.77,;11.67,3.54,;13,2.77,;13.01,1.24,;11.68,.48,)|

Structure