| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50159110 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_471590 (CHEMBL940221) |
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| IC50 | 3200±n/a nM |
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| Citation |  Bembenek, SD; Keith, JM; Letavic, MA; Apodaca, R; Barbier, AJ; Dvorak, L; Aluisio, L; Miller, KL; Lovenberg, TW; Carruthers, NI Lead identification of acetylcholinesterase inhibitors-histamine H3 receptor antagonists from molecular modeling. Bioorg Med Chem16:2968-73 (2008) [PubMed] Article |
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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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| BDBM50159110 |
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| n/a |
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| Name | BDBM50159110 |
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| Synonyms: | 1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piperidine | 1-(4-(3-(piperidin-1-yl)propoxy)benzyl)piperidine | 1-[3-(4-hexahydro-1-pyridinylmethylphenoxy)propyl]hexahydropyridine | 1-[4-(3-hexahydro-1-pyridinylpropoxy)benzyl]hexahydropyridine | CHEMBL129542 | JNJ-5207852 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H32N2O |
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| Mol. Mass. | 316.4809 |
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| SMILES | C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1 |
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| Structure | 
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