Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50430533 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_946316 (CHEMBL2345931) |
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IC50 | 126±n/a nM |
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Citation | da Costa, JS; Lopes, JP; Russowsky, D; Petzhold, CL; Borges, AC; Ceschi, MA; Konrath, E; Batassini, C; Lunardi, PS; Gonçalves, CA Synthesis of tacrine-lophine hybrids via one-pot four component reaction and biological evaluation as acetyl- and butyrylcholinesterase inhibitors. Eur J Med Chem62:556-63 (2013) [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_RAT | Acetylcholinesterase (AChE) | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | Acetylcholinesterase precursor | Acetylcholinesterase, AChE | Ache |
Type: | Enzyme |
Mol. Mass.: | 68193.62 |
Organism: | Rattus norvegicus (rat) |
Description: | P37136 |
Residue: | 614 |
Sequence: | MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPV
SAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSM
NYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASV
GMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTEL
ISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVG
VVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPE
DPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGY
EIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQ
YVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQERCSDL
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BDBM50430533 |
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n/a |
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Name | BDBM50430533 |
Synonyms: | CHEMBL2336429 |
Type | Small organic molecule |
Emp. Form. | C43H46N4O |
Mol. Mass. | 634.8515 |
SMILES | COc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 |
Structure |
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