Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50110319 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1511667 (CHEMBL3607335) |
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IC50 | >500000±n/a nM |
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Citation | Mehr-un-Nisa, na; Munawar, MA; Chattha, FA; Kousar, S; Munir, J; Ismail, T; Ashraf, M; Khan, MA Synthesis of novel triazoles and a tetrazole of escitalopram as cholinesterase inhibitors. Bioorg Med Chem23:6014-24 (2015) [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 |
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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BDBM50110319 |
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n/a |
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Name | BDBM50110319 |
Synonyms: | CHEMBL3605431 |
Type | Small organic molecule |
Emp. Form. | C27H26FIN4O |
Mol. Mass. | 568.4244 |
SMILES | CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(I)c1)c1ccc(F)cc1 |r| |
Structure |
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