| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50431820 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_952207 (CHEMBL2351003) |
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| IC50 | 39160±n/a nM |
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| Citation |  Jeyachandran, V; Kumar, RR; Ali, MA; Choon, TS A one-pot domino synthesis and discovery of highly functionalized dihydrobenzo[b]thiophenes as AChE inhibitors. Bioorg Med Chem Lett23:2101-5 (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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| BDBM50431820 |
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| n/a |
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| Name | BDBM50431820 |
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| Synonyms: | CHEMBL2347102 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H13ClFN3S |
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| Mol. Mass. | 405.875 |
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| SMILES | Nc1c(C#N)c2CC(Sc2c(-c2ccc(F)cc2)c1C#N)c1ccc(Cl)cc1 |
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| Structure | 
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