Ki Summary

Reaction Details

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Target

Muscarinic acetylcholine receptor M3

Ligand

BDBM50381655

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_815844 (CHEMBL2026107)

0.0794±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

BDBM50381655

n/a

Name

BDBM50381655

Synonyms:

CHEMBL2021998

Type

Small organic molecule

Emp. Form.

C31H43N2

Mol. Mass.

443.686

SMILES

CCCCCCCC[N@@+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:8.7,wD:15.16,8.8,TLB:9:8:15.14.32:12.11,THB:7:8:15.14.32:12.11,16:15:8:12.11,(22.9,-27.86,;23.68,-29.18,;22.92,-30.52,;23.69,-31.85,;22.93,-33.19,;23.71,-34.52,;22.95,-35.86,;23.73,-37.19,;22.97,-38.52,;21.47,-38.12,;24.02,-39.36,;23.42,-40.7,;22.24,-41.41,;23.23,-40.06,;25.07,-40.06,;26.05,-40.87,;26.82,-42.2,;28.36,-42.2,;28.75,-40.7,;29.15,-39.2,;29.14,-43.53,;28.37,-44.86,;29.14,-46.19,;30.68,-46.19,;31.45,-44.84,;30.67,-43.52,;29.84,-41.79,;30.94,-42.87,;32.42,-42.47,;32.8,-40.98,;31.7,-39.9,;30.22,-40.31,;25.78,-39.32,)|

Structure