| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50336475 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_716890 (CHEMBL1670869) |
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| IC50 | 5986±n/a nM |
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| Citation |  Gupta, S; Fallarero, A; Järvinen, P; Karlsson, D; Johnson, MS; Vuorela, PM; Mohan, CG Discovery of dual binding site acetylcholinesterase inhibitors identified by pharmacophore modeling and sequential virtual screening techniques. Bioorg Med Chem Lett21:1105-12 (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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| BDBM50336475 |
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| n/a |
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| Name | BDBM50336475 |
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| Synonyms: | (S)-ethyl 5-methyl-2-(3-(4-methylpiperidin-1-yl)propanamido)4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate | CHEMBL1668496 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H32N2O3S |
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| Mol. Mass. | 392.555 |
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| SMILES | CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc2CC[C@H](C)Cc12 |r| |
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| Structure | 
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