Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor
Ligand
BDBM50036183
Substrate
n/a
Meas. Tech.
ChEMBL_138314 (CHEMBL743825)
Ki
420±n/a nM
Citation
 Nilsson, BM; Sundquist, S; Johansson, G; Nordvall, G; Glas, G; Nilvebrant, L; Hacksell, U 3-Heteroaryl-substituted quinuclidin-3-ol and quinuclidin-2-ene derivatives as muscarinic antagonists. Synthesis and structure-activity relationships. J Med Chem 38:473-87 (1995) [PubMed]  Article 
Target
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:
MTLHSNSTTLPLFPNISTSWIHSPSEAGLPPGTVTHFGSYNISQAAGNFSSLNGTTSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVSFKVNKQLKHVNNYFLLSLADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSLKHSSRRKYSRCHFWFATKSWKPNAGQMDQDHSSSDSWNNYDAAASLENSASDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEDLEPMDMERNASKPQTQKSMDDGGSFQKSFSNLPIQLESTMDTAKTSDANSSVSKTMATLPLSFKEATLAKRFALRTRSQITKRKRMSLIKEKRAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRNTFKMLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
  
Inhibitor
Name:
BDBM50036183
Synonyms:
3-(2'-Benzothiophenyl)-quinuclidine-2-ene | 3-Benzo[b]thiophen-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene | CHEMBL344327
Type:
Small organic molecule
Emp. Form.:
C15H15NS
Mol. Mass.:
241.351
SMILES:
C1CN2CCC1C(=C2)c1cc2ccccc2s1 |c:7,(17.86,-23.53,;17.86,-25.08,;19.19,-25.85,;19.95,-24.52,;18.46,-24.12,;19.19,-22.75,;20.54,-23.53,;20.54,-25.08,;21.87,-22.76,;23.27,-23.39,;24.3,-22.24,;25.83,-22.25,;26.6,-20.92,;25.83,-19.59,;24.3,-19.59,;23.54,-20.91,;22.03,-21.23,)|
Structure:
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