Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50431828 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_952207 (CHEMBL2351003) |
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IC50 | 13600±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 |
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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BDBM50431828 |
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n/a |
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Name | BDBM50431828 |
Synonyms: | CHEMBL2347094 |
Type | Small organic molecule |
Emp. Form. | C23H16ClN3S |
Mol. Mass. | 401.911 |
SMILES | Cc1ccc(cc1)C1Cc2c(S1)c(-c1ccc(Cl)cc1)c(C#N)c(N)c2C#N |
Structure |
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