| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50550229 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2027086 (CHEMBL4681244) |
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| IC50 | 15±n/a nM |
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| Citation |  Benchekroun, M; Romero, A; Egea, J; León, R; Michalska, P; Buendía, I; Jimeno, ML; Jun, D; Janockova, J; Sepsova, V; Soukup, O; Bautista-Aguilera, OM; Refouvelet, B; Ouari, O; Marco-Contelles, J; Ismaili, L The Antioxidant Additive Approach for Alzheimer's Disease Therapy: New Ferulic (Lipoic) Acid Plus Melatonin Modified Tacrines as Cholinesterases Inhibitors, Direct Antioxidants, and Nuclear Factor (Erythroid-Derived 2)-Like 2 Activators. J Med Chem59:9967-9973 (2016) [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 |
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| Synonyms: | ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache |
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| Type: | Enzyme |
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| Mol. Mass.: | 71812.79 |
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| Organism: | Electrophorus electricus (Electric eel) |
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| Description: | n/a |
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| Residue: | 633 |
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| Sequence: | MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFA
EPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLY
LNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGF
LALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDS
RPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLI
DQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYG
APGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIV
GDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHR
ASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINV
DGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAE
RQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
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| BDBM50550229 |
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| n/a |
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| Name | BDBM50550229 |
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| Synonyms: | CHEMBL4755679 |
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| Type | Small organic molecule |
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| Emp. Form. | C43H59N5O4S2 |
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| Mol. Mass. | 774.09 |
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| SMILES | COc1ccc2[nH]cc(CCNC(=O)CN(CCCCCCCCNc3c4CCCCc4nc4ccc(OC)cc34)C(=O)CCCC[C@@H]3CCSS3)c2c1 |r| |
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| Structure | 
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