Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50509708
Substrate
n/a
Meas. Tech.
ChEMBL_1839123 (CHEMBL4339338)
IC50
622±n/a nM
Citation
 AlFadly, ED; Elzahhar, PA; Tramarin, A; Elkazaz, S; Shaltout, H; Abu-Serie, MM; Janockova, J; Soukup, O; Ghareeb, DA; El-Yazbi, AF; Rafeh, RW; Bakkar, NZ; Kobeissy, F; Iriepa, I; Moraleda, I; Saudi, MNS; Bartolini, M; Belal, ASF Tackling neuroinflammation and cholinergic deficit in Alzheimer's disease: Multi-target inhibitors of cholinesterases, cyclooxygenase-2 and 15-lipoxygenase. Eur J Med Chem 167:161-186 (2019) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ACES_ELEEL | ache
Type:
Enzyme
Mol. Mass.:
71812.79
Organism:
Electric eel
Description:
n/a
Residue:
633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM50509708
Synonyms:
CHEMBL4458648
Type:
Small organic molecule
Emp. Form.:
C21H22N4S
Mol. Mass.:
362.5
SMILES:
S=C(NCc1ccccc1)NNc1c2CCCCc2nc2ccccc12
Structure:
Search PDB for entries with ligand similarity: