Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50219242
Substrate
n/a
Meas. Tech.
ChEMBL_437417 (CHEMBL906815)
IC50
2450±n/a nM
Citation
 Kwon, YE; Park, JY; No, KT; Shin, JH; Lee, SK; Eun, JS; Yang, JH; Shin, TY; Kim, DK; Chae, BS; Leem, JY; Kim, KH Synthesis, in vitro assay, and molecular modeling of new piperidine derivatives having dual inhibitory potency against acetylcholinesterase and Abeta1-42 aggregation for Alzheimer's disease therapeutics. Bioorg Med Chem 15:6596-607 (2007) [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:
BDBM50219242
Synonyms:
4-[4-(benzhydryloxy)piperidino]butyl-N-(4-chlorophenyl)carbamate | CHEMBL389047
Type:
Small organic molecule
Emp. Form.:
C29H33ClN2O3
Mol. Mass.:
493.037
SMILES:
Clc1ccc(NC(=O)OCCCCN2CCC(CC2)OC(c2ccccc2)c2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: