Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50052209
Substrate
n/a
Meas. Tech.
ChEMBL_1455650 (CHEMBL3365679)
IC50
214±n/a nM
Citation
 Akrami, H; Mirjalili, BF; Khoobi, M; Nadri, H; Moradi, A; Sakhteman, A; Emami, S; Foroumadi, A; Shafiee, A Indolinone-based acetylcholinesterase inhibitors: synthesis, biological activity and molecular modeling. Eur J Med Chem 84:375-81 (2014) [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:
BDBM50052209
Synonyms:
CHEMBL3318395
Type:
Small organic molecule
Emp. Form.:
C21H16BrN3O3
Mol. Mass.:
438.274
SMILES:
[Br-].[O-][N+](=O)c1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Structure:
Search PDB for entries with ligand similarity: