| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50064176 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_28898 (CHEMBL638447) |
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| IC50 | 5370±n/a nM |
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| Citation |  Bolognesi, ML; Bixel, MG; Marucci, G; Bartolini, M; Krauss, M; Angeli, P; Antonello, A; Rosini, M; Tumiatti, V; Hucho, F; Melchiorre, C Structure-activity relationships of methoctramine-related polyamines as muscular nicotinic receptor noncompetitive antagonists. 3. Effect of inserting the tetraamine backbone into a macrocyclic structure. J Med Chem45:3286-95 (2002) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Acetylcholinesterase |
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| Name: | Acetylcholinesterase |
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| Synonyms: | ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) |
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| Type: | Enzyme |
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| Mol. Mass.: | 67792.70 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P22303 |
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| Residue: | 614 |
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| Sequence: | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
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| BDBM50064176 |
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| n/a |
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| Name | BDBM50064176 |
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| Synonyms: | CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''-Bis-[6-(2-methoxy-benzylamino)-hexyl]-octane-1,8-diamine | N1,N8-bis(6-(2-methoxybenzylamino)hexyl)octane-1,8-diamine |
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| Type | Small organic molecule |
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| Emp. Form. | C36H62N4O2 |
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| Mol. Mass. | 582.9031 |
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| SMILES | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC |
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| Structure | 
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