Ki Summary

Reaction Details

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Target

Muscarinic acetylcholine receptor M3

Ligand

BDBM50296345

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1477237 (CHEMBL3428929)

0.031623±n/a nM

Citation

Hughes, AD; Chen, Y; Hegde, SS; Jasper, JR; Jaw-Tsai, S; Lee, TW; McNamara, A; Pulido-Rios, MT; Steinfeld, T; Mammen, M Discovery of (R)-1-(3-((2-chloro-4-(((2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)methyl)-5-methoxyphenyl)amino)-3-oxopropyl)piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamate (TD-5959, GSK961081, batefenterol): first-in-class dual pharmacology multivalent muscarinic antagonist.. J Med Chem58:2609-22 (2015) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Muscarinic acetylcholine receptor M3

Name:

Muscarinic acetylcholine receptor M3

Synonyms:

Type:

Enzyme

Mol. Mass.:

66151.03

Organism:

Homo sapiens (Human)

Description:

P20309

Residue:

590

Sequence:

MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPL
GGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVI
SMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKR
TTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAF
YMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSM
KRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSE
TRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSF
PKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKR
MSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVN
PVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL

BDBM50296345

n/a

Name

BDBM50296345

Synonyms:

(1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl-acetoxy)-9,9-dimethyl-3-oxa-9-azonia-tricyclo[3.3.1.0*2,4*]nonane bromide | CHEMBL258622 | Tiotropium Bromide

Type

Small organic molecule

Emp. Form.

C19H22NO4S2

Mol. Mass.

392.512

SMILES

C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10|

Structure