Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM50081732
Substrate
n/a
Meas. Tech.
ChEBML_139530
IC50
806.0±n/a nM
Citation
 Choi, KI; Cha, JH; Cho, YS; Pae, AN; Jin, C; Yook, J; Cheon, HG; Jeong, D; Kong, JY; Koh, HY Binding affinities of 3-(3-phenylisoxazol-5-yl)methylidene-1-azabicycles to acetylcholine receptors. Bioorg Med Chem Lett 9:2795-800 (1999) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M1
Synonyms:
ACM1_HUMAN | CHRM1 | Cholinergic receptor, muscarinic 1 | Cholinergic, muscarinic M1
Type:
Protein
Mol. Mass.:
51442.54
Organism:
Homo sapiens (Human)
Description:
P11229
Residue:
460
Sequence:
MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
  
Inhibitor
Name:
BDBM50081732
Synonyms:
(4-{5-[1-Aza-bicyclo[2.2.2]oct-(3E)-ylidenemethyl]-isoxazol-3-yl}-phenyl)-carbamic acid tert-butyl ester | CHEMBL97468
Type:
Small organic molecule
Emp. Form.:
C22H27N3O3
Mol. Mass.:
381.4681
SMILES:
CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(C=C2CN3CCC2CC3)on1 |w:17.17,(36.02,-4.34,;34.43,-4.44,;33.01,-3.7,;35.15,-3.15,;33.85,-5.87,;34.8,-7.11,;36.35,-6.9,;34.21,-8.55,;35.16,-9.76,;34.58,-11.19,;35.51,-12.42,;37.04,-12.21,;37.62,-10.79,;36.68,-9.57,;37.97,-13.42,;37.54,-14.88,;38.82,-15.75,;38.85,-17.31,;37.49,-18.09,;37.49,-19.61,;36.15,-20.39,;36.9,-18.61,;35.42,-19.02,;36.15,-17.31,;34.83,-18.09,;34.83,-19.61,;40.02,-14.81,;39.5,-13.38,)|
Structure:
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