Reaction Details  Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50277453
Substrate
n/a
Meas. Tech.
ChEMBL_1718003 (CHEMBL4133003)
IC50
4930±n/a nM
Citation
 Palanimuthu, D; Poon, R; Sahni, S; Anjum, R; Hibbs, D; Lin, HY; Bernhardt, PV; Kalinowski, DS; Richardson, DR A novel class of thiosemicarbazones show multi-functional activity for the treatment of Alzheimer's disease. Eur J Med Chem 139:612-632 (2017) [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:
BDBM50277453
Synonyms:
CHEMBL4174866
Type:
Small organic molecule
Emp. Form.:
C21H28ClN5O2S
Mol. Mass.:
449.997
SMILES:
Cl.Cc1ncc(CO)c(\C=N\NC(=S)NC2CCN(Cc3ccccc3)CC2)c1O
Structure:
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