Ki Summary

Reaction Details

Report a problem with these data

Target

Muscarinic acetylcholine receptor M3

Ligand

BDBM221900

Substrate/Competitor

n/a

Meas. Tech.

Muscarinic Receptor Binding Assay

IC50

1.1±n/a nM

Citation

Prat Quinones, M; Fonquerna Pou, S; Puig Duran, C; Lumeras Amador, W; Aiguade Bosch, J; Caturla Jovaloyes, JF Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities US Patent US9315463 Publication Date 4/19/2016

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

BDBM221900

n/a

Name

BDBM221900

Synonyms:

US9315463, 9

Type

Small organic molecule

Emp. Form.

C39H43ClN4O8S2

Mol. Mass.

795.364

SMILES

COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-7.85,3.08,;-6.52,3.85,;-5.19,3.08,;-3.85,3.85,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;.15,1.54,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;5.48,1.54,;6.82,.77,;8.15,1.54,;8.15,3.08,;6.82,3.85,;9.48,.77,;10.82,1.54,;10.82,3.08,;12.15,.77,;13.49,,;12.15,-.77,;10.91,-1.68,;11.38,-3.14,;12.92,-3.14,;13.4,-1.68,;13.49,1.54,;14.95,1.06,;15.86,2.31,;14.95,3.56,;13.49,3.08,;-2.52,1.54,;-1.18,.77,;-3.85,.77,;-5.19,1.54,;-6.52,.77,;-7.85,1.54,;-9.19,.77,;-10.52,1.54,;-10.52,3.08,;-11.85,.77,;-13.19,1.54,;-14.52,.77,;-14.52,-.77,;-15.86,-1.54,;-13.19,-1.54,;-13.19,-3.08,;-11.85,-3.85,;-11.85,-5.39,;-10.52,-3.08,;-10.52,-1.54,;-11.85,-.77,)|

Structure