| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50436812 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_970665 (CHEMBL2405882) |
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| IC50 | 4560±n/a nM |
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| Citation |  Sivakumar, S; Ranjith Kumar, R; Ali, MA; Choon, TS An atom economic synthesis and AChE inhibitory activity of novel dispiro 7-aryltetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole and 4-aryloctahydroindolizine N-methylpiperidin-4-one hybrid heterocycles. Eur J Med Chem65:240-8 (2013) [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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| BDBM50436812 |
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| n/a |
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| Name | BDBM50436812 |
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| Synonyms: | CHEMBL3038164 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H28N4O6S |
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| Mol. Mass. | 632.685 |
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| SMILES | CN1C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(cc1)[N+]([O-])=O |r| |
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| Structure | 
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