Ki Summary

Reaction Details

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Target

Muscarinic acetylcholine receptor M3

Ligand

BDBM50381637

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_815843 (CHEMBL2026106)

IC50

89.6±n/a nM

Citation

Lainé, DI; Yan, H; Xie, H; Davis, RS; Dufour, J; Widdowson, KL; Palovich, MR; Wan, Z; Foley, JJ; Schmidt, DB; Hunsberger, GE; Burman, M; Bacon, AM; Webb, EF; Luttmann, MA; Salmon, M; Sarau, HM; Umbrecht, ST; Landis, PS; Peck, BJ; Busch-Petersen, J Design, synthesis and structure-activity relationship of N-substituted tropane muscarinic acetylcholine receptor antagonists. Bioorg Med Chem Lett22:3366-9 (2012) [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

BDBM50381637

n/a

Name

BDBM50381637

Synonyms:

CHEMBL2023754

Type

Small organic molecule

Emp. Form.

C30H39N2

Mol. Mass.

427.6435

SMILES

C[N+]1(CC2CCCCC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:14.16,TLB:0:1:14.13.31:11.10,THB:2:1:14.13.31:11.10,15:14:1:11.10,(-9.32,-23.68,;-7.82,-24.09,;-7.06,-22.75,;-7.84,-21.42,;-7.08,-20.08,;-7.85,-18.76,;-9.39,-18.76,;-10.16,-20.1,;-9.38,-21.44,;-6.77,-24.92,;-7.37,-26.26,;-8.55,-26.97,;-7.56,-25.63,;-5.72,-25.63,;-4.74,-26.43,;-3.97,-27.77,;-2.43,-27.76,;-2.04,-26.27,;-1.65,-24.77,;-1.66,-29.1,;-2.43,-30.42,;-1.65,-31.76,;-.11,-31.75,;.65,-30.41,;-.12,-29.08,;-.95,-27.35,;.14,-28.44,;1.62,-28.03,;2.01,-26.54,;.91,-25.46,;-.57,-25.87,;-5.01,-24.89,)|

Structure