Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50275713 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_493234 (CHEMBL948464) |
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IC50 | 4160±n/a nM |
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Citation | Tumiatti, V; Milelli, A; Minarini, A; Rosini, M; Bolognesi, ML; Micco, M; Andrisano, V; Bartolini, M; Mancini, F; Recanatini, M; Cavalli, A; Melchiorre, C Structure-activity relationships of acetylcholinesterase noncovalent inhibitors based on a polyamine backbone. 4. Further investigation on the inner spacer. J Med Chem51:7308-12 (2009) [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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BDBM50275713 |
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n/a |
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Name | BDBM50275713 |
Synonyms: | CHEMBL499825 | cis-6-[Ethyl-(2-methoxybenzyl)amino]hexanoic acid (2-{6-[ethyl-(2-methoxybenzyl)amino]hexanoylamino}cyclohexyl)amide |
Type | Small organic molecule |
Emp. Form. | C38H60N4O4 |
Mol. Mass. | 636.9074 |
SMILES | CCN(CCCCCC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |r| |
Structure |
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