Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50133647
Substrate
n/a
Meas. Tech.
ChEMBL_1526324 (CHEMBL3637271)
IC50
500±n/a nM
Citation
 Yerdelen, KO; Koca, M; Anil, B; Sevindik, H; Kasap, Z; Halici, Z; Turkaydin, K; Gunesacar, G Synthesis of donepezil-based multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett 25:5576-82 (2015) [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:
BDBM50133647
Synonyms:
CHEMBL3633480
Type:
Small organic molecule
Emp. Form.:
C18H16ClNO4
Mol. Mass.:
345.777
SMILES:
COc1cc2CC(C(=O)Nc3ccc(Cl)cc3)C(=O)c2cc1OC
Structure:
Search PDB for entries with ligand similarity: