Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50343154
Substrate
n/a
Meas. Tech.
ChEMBL_745281 (CHEMBL1775313)
Ki
0.397000±n/a nM
Citation
Jones, LH; Baldock, H; Bunnage, ME; Burrows, J; Clarke, N; Coghlan, M; Entwistle, D; Fairman, D; Feeder, N; Fulton, C; Hilton, L; James, K; Jones, RM; Kenyon, AS; Marshall, S; Newman, SD; Osborne, R; Patel, S; Selby, MD; Stuart, EF; Trevethick, MA; Wright, KN; Price, DA Inhalation by design: dual pharmacology β-2 agonists/M3 antagonists for the treatment of COPD. Bioorg Med Chem Lett 21:2759-63 (2011) [PubMed] Article
More Info.:
Target
Name:
Muscarinic acetylcholine receptor M3
Synonyms:
ACM3_HUMAN | CHRM3 | Cholinergic, muscarinic M3 | Muscarinic Receptors M3 | Muscarinic receptor M3 | RecName: Full=Muscarinic acetylcholine receptor M3
Type:
Enzyme
Mol. Mass.:
66151.03
Organism:
Homo sapiens (Human)
Description:
P20309
Residue:
590
Sequence:
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
Inhibitor
Name:
BDBM50343154
Synonyms:
2-(3-((R)-2-((R)-2-(3,5-dihydroxyphenyl)-2-hydroxyethylamino)propyl)phenyl)-N-(3-(3-((R)-3-(diisopropylamino)-1-phenylpropyl)-4-hydroxyphenyl)propyl)acetamide | CHEMBL1773198
Type:
Small organic molecule
Emp. Form.:
C43H57N3O5
Mol. Mass.:
695.9298
SMILES:
CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(C[C@@H](C)NC[C@H](O)c3cc(O)cc(O)c3)c2)ccc1O)C(C)C |r|