Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50316985 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_630123 (CHEMBL1113714) |
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IC50 | 19700±n/a nM |
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Citation | Young, S; Fabio, K; Guillon, C; Mohanta, P; Halton, TA; Heck, DE; Flowers, RA; Laskin, JD; Heindel, ND Peripheral site acetylcholinesterase inhibitors targeting both inflammation and cholinergic dysfunction. Bioorg Med Chem Lett20:2987-90 (2010) [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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BDBM50316985 |
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n/a |
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Name | BDBM50316985 |
Synonyms: | (S)-3,3-Dimethylbutyl 2-(6-Methoxynaphthalen-2-yl)propanoate | CHEMBL1098455 |
Type | Small organic molecule |
Emp. Form. | C20H26O3 |
Mol. Mass. | 314.4186 |
SMILES | COc1ccc2cc(ccc2c1)[C@H](C)C(=O)OCCC(C)(C)C |r| |
Structure |
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