Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50519406
Substrate
n/a
Meas. Tech.
ChEMBL_1875193 (CHEMBL4376482)
Ki
178±n/a nM
Citation
 Bajda, M; ?a?ewska, D; Gody?, J; Zar?ba, P; Kuder, K; Hagenow, S; ??tka, K; Stawarska, E; Stark, H; Kie?-Kononowicz, K; Malawska, B Search for new multi-target compounds against Alzheimer's disease among histamine H Eur J Med Chem 185:0 (2020) [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:
BDBM50519406
Synonyms:
CHEMBL4455690
Type:
Small organic molecule
Emp. Form.:
C28H35NO3
Mol. Mass.:
433.5824
SMILES:
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCCCN2CCCCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: