Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM13550 |
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Substrate/Competitor | BDBM8959 |
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Meas. Tech. | Cholinesterase Inhibition Assay |
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pH | 7.3±n/a |
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Temperature | 298.15±n/a K |
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IC50 | 8.39±0.14 nM |
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Citation | Elsinghorst, PW; Tanarro, CM; Gutschow, M Novel heterobivalent tacrine derivatives as cholinesterase inhibitors with notable selectivity toward butyrylcholinesterase. J Med Chem49:7540-4 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, 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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BDBM13550 |
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BDBM8959 |
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Name | BDBM13550 |
Synonyms: | 3-(3,4,5-Trimethoxyphenyl)-N-(6-oxo-6-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)-hexyl)propanamide | N-[5-(N'-1,2,3,4-tetrahydroacridin-9-ylhydrazinecarbonyl)pentyl]-3-(3,4,5-trimethoxyphenyl)propanamide | tacrine derivative 16f |
Type | Small organic molecule |
Emp. Form. | C31H40N4O5 |
Mol. Mass. | 548.6731 |
SMILES | COc1cc(CCC(=O)NCCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC |
Structure |
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