Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50032164 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_28298 (CHEMBL644837) |
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IC50 | 0.57±n/a nM |
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Citation | Villalobos, A; Butler, TW; Chapin, DS; Chen, YL; DeMattos, SB; Ives, JL; Jones, SB; Liston, DR; Nagel, AA; Nason, DM 5,7-dihydro-3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-6H- pyrrolo[3,2-f]-1,2-benzisoxazol-6-one: a potent and centrally-selective inhibitor of acetylcholinesterase with an improved margin of safety. J Med Chem38:2802-8 (1995) [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 |
Synonyms: | ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) |
Type: | Enzyme |
Mol. Mass.: | 67792.70 |
Organism: | Homo sapiens (Human) |
Description: | P22303 |
Residue: | 614 |
Sequence: | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
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BDBM50032164 |
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n/a |
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Name | BDBM50032164 |
Synonyms: | 3-(2-(1-benzylpiperidin-4-yl)ethyl)-5,6-dihydroisoxazolo[4,5-g]quinolin-7(8H)-one | 3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,8-dihydro-6H-isoxazolo[4,5-g]quinolin-7-one | CHEMBL329231 |
Type | Small organic molecule |
Emp. Form. | C24H27N3O2 |
Mol. Mass. | 389.4901 |
SMILES | O=C1CCc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1 |
Structure |
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