| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50360917 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_795673 (CHEMBL1936154) |
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| IC50 | 1160±n/a nM |
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| Citation |  Ashraf Ali, M; Ismail, R; Choon, TS; Kumar, RS; Osman, H; Arumugam, N; Almansour, AI; Elumalai, K; Singh, A AChE inhibitor: a regio- and stereo-selective 1,3-dipolar cycloaddition for the synthesis of novel substituted 5,6-dimethoxy spiro[5.3']-oxindole-spiro-[6.3¿]-2,3-dihydro-1H-inden-1¿-one-7-(substituted aryl)-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole. Bioorg Med Chem Lett22:508-11 (2011) [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 |
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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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| BDBM50360917 |
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| n/a |
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| Name | BDBM50360917 |
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| Synonyms: | CHEMBL1935152 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H24FN3O6S |
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| Mol. Mass. | 561.581 |
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| SMILES | COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(cc34)[N+]([O-])=O)c3ccc(F)cc3)C(=O)c2cc1OC |
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| Structure | 
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