Reaction Details  Report a problem with these data
Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM50108592
Substrate
n/a
Meas. Tech.
ChEMBL_139076 (CHEMBL745671)
Ki
2344±n/a nM
Citation
 Campiani, G; Butini, S; Gemma, S; Nacci, V; Fattorusso, C; Catalanotti, B; Giorgi, G; Cagnotto, A; Goegan, M; Mennini, T; Minetti, P; Di Cesare, MA; Mastroianni, D; Scafetta, N; Galletti, B; Stasi, MA; Castorina, M; Pacifici, L; Ghirardi, O; Tinti, O; Carminati, P Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies. J Med Chem 45:344-59 (2002) [PubMed]
Target
Name:
Muscarinic acetylcholine receptor M1
Synonyms:
ACM1_RAT | Cholinergic, muscarinic M1 | Chrm-1 | Chrm1 | cholinergic receptor, muscarinic 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51390.46
Organism:
RAT
Description:
P08482
Residue:
460
Sequence:
MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
  
Inhibitor
Name:
BDBM50108592
Synonyms:
(+/-)9-(4-Ethyl-piperazin-1-yl)-7-fluoro-9,10-dihydro-4-thia-10a-aza-benzo[f]azulene | CHEMBL333455
Type:
Small organic molecule
Emp. Form.:
C18H22FN3S
Mol. Mass.:
331.451
SMILES:
CCN1CCN(CC1)C1Cn2cccc2Sc2ccc(F)cc12
Structure:
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