Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50207452 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1631961 (CHEMBL3874667) |
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IC50 | 16400±n/a nM |
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Citation | Li, Y; Qiang, X; Luo, L; Yang, X; Xiao, G; Zheng, Y; Cao, Z; Sang, Z; Su, F; Deng, Y Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem25:714-726 (2017) [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_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache |
Type: | Enzyme |
Mol. Mass.: | 71812.79 |
Organism: | Electrophorus electricus (Electric eel) |
Description: | n/a |
Residue: | 633 |
Sequence: | MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFA
EPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLY
LNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGF
LALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDS
RPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLI
DQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYG
APGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIV
GDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHR
ASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINV
DGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAE
RQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
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BDBM50207452 |
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n/a |
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Name | BDBM50207452 |
Synonyms: | CHEMBL3983738 |
Type | Small organic molecule |
Emp. Form. | C28H29NO6 |
Mol. Mass. | 475.533 |
SMILES | COc1ccccc1CN(C)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O |
Structure |
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