Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50130146
Substrate
n/a
Meas. Tech.
ChEBML_27673
IC50
650000±n/a nM
Citation
 Herlem, D; Martin, MT; Thal, C; Guillou, C Synthesis and structure-activity relationships of open D-Ring galanthamine analogues. Bioorg Med Chem Lett 13:2389-91 (2003) [PubMed]  Article 
Target
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:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM50130146
Synonyms:
CHEMBL80224 | Carbonic acid (3R,4aS,9bS)-9-chloromethyl-9b-[2-(ethoxycarbonyl-methyl-amino)-ethyl]-6-methoxy-3,4,4a,9b-tetrahydro-dibenzofuran-3-yl ester ethyl ester
Type:
Small organic molecule
Emp. Form.:
C23H30ClNO7
Mol. Mass.:
467.94
SMILES:
CCOC(=O)O[C@@H]1C[C@@H]2Oc3c(c(CCl)ccc3OC)[C@]2(CCN(C)C(=O)OCC)C=C1 |c:32|
Structure:
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