Ki Summary

Reaction Details

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Target

Muscarinic acetylcholine receptor

Ligand

BDBM50595424

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2216709 (CHEMBL5129841)

IC50

0.199526±n/a nM

Citation

Carzaniga, L; Linney, ID; Rizzi, A; Delcanale, M; Schmidt, W; Knight, CK; Pastore, F; Miglietta, D; Carnini, C; Cesari, N; Riccardi, B; Mileo, V; Venturi, L; Moretti, E; Blackaby, WP; Patacchini, R; Accetta, A; Biagetti, M; Bassani, F; Tondelli, M; Murgo, A; Battipaglia, L; Villetti, G; Puccini, P; Catinella, S; Civelli, M; Rancati, F Discovery of Clinical Candidate CHF-6366: A Novel Super-soft Dual Pharmacology Muscarinic Antagonist and ? J Med Chem65:10233-10250 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Muscarinic acetylcholine receptor

Name:

Muscarinic acetylcholine receptor

Synonyms:

GPM3 | Muscarinic acetylcholine receptor M3

Type:

n/a

Mol. Mass.:

66272.13

Organism:

Cavia porcellus

Description:

n/a

Residue:

587

Sequence:

MTLHSNSTTLPLFPNISTSWIHSPSEAGLPPGTVTHFGSYNISQAAGNFSSLNGTTSDPL
GGHTIWQVVFIAFLTGFLALVTIIGNILVIVSFKVNKQLKHVNNYFLLSLADLIIGVISM
NLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTT
KRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYM
PVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSLKH
SSRRKYSRCHFWFATKSWKPNAGQMDQDHSSSDSWNNYDAAASLENSASDEEDIGSETRA
IYSIVLKLPGHSTILNSTKLPSSDNLQVPEEDLEPMDMERNASKPQTQKSMDDGGSFQKS
FSNLPIQLESTMDTAKTSDANSSVSKTMATLPLSFKEATLAKRFALRTRSQITKRKRMSL
IKEKRAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVC
YALCNKTFRNTFKMLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL

BDBM50595424

n/a

Name

BDBM50595424

Synonyms:

CHEMBL5172865

Type

Small organic molecule

Emp. Form.

C42H48N6O8

Mol. Mass.

764.8659

SMILES

Cn1nc(cc1COc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)C(=O)OCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:42.47,wD:14.16,19.20,(.73,4.28,;.18,2.84,;-1.31,2.44,;-1.39,.91,;.04,.35,;1.01,1.55,;2.55,1.47,;3.25,.1,;4.79,.01,;5.49,-1.36,;7.02,-1.44,;7.86,-.15,;7.16,1.22,;5.63,1.3,;8,2.51,;9.54,2.43,;10.24,1.06,;9.4,-.23,;11.78,.98,;12.48,-.4,;11.64,-1.69,;12.33,-3.06,;12.41,-1.64,;13.94,-1.9,;14.01,-.48,;14.71,-1.85,;13.87,-3.14,;7.31,3.89,;5.77,3.97,;5.07,5.34,;5.91,6.63,;7.45,6.55,;8.15,5.18,;-2.69,.07,;-2.61,-1.47,;-4.06,.77,;-5.35,-.07,;-6.72,.63,;-8.01,-.2,;-9.38,.5,;-10.68,-.34,;-12.05,.36,;-13.34,-.48,;-14.71,.22,;-13.26,-2.02,;-14.55,-2.86,;-14.47,-4.39,;-13.1,-5.09,;-13.02,-6.63,;-11.81,-4.26,;-10.44,-4.96,;-9.15,-4.12,;-7.77,-4.82,;-9.23,-2.58,;-10.6,-1.88,;-11.89,-2.72,)|

Structure