Reaction Details 
Report a problem with these data
Report a problem with these dataTarget
Acetylcholinesterase
Ligand
BDBM50556134
Substrate
n/a
Meas. Tech.
ChEMBL_2054934 (CHEMBL4709935)
IC50
235±n/a nM
Citation
?a?ewska, D; Bajda, M; Kaleta, M; Zar?ba, P; Doroz-P?onka, A; Siwek, A; Alachkar, A; Mogilski, S; Saad, A; Kuder, K; Olejarz-Maciej, A; Gody?, J; Stary, D; Sudo?, S; Wi?cek, M; Latacz, G; Walczak, M; Handzlik, J; Sadek, B; Malawska, B; Kie?-Kononowicz, K Rational design of new multitarget histamine H Eur J Med Chem 207:0 (2020) [PubMed] ArticleMore Info.:
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:
BDBM50556134
Synonyms:
CHEMBL4746282
Type:
Small organic molecule
Emp. Form.:
C25H30ClNO3
Mol. Mass.:
427.964
SMILES:
Clc1ccc2c(c1)oc1ccc(OCCCCCCN3CCCCCC3)cc1c2=O
Structure:
