Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50223062
Substrate
n/a
Meas. Tech.
ChEMBL_450033 (CHEMBL899129)
IC50
149.2±n/a nM
Citation
 Kavitha, CV; Gaonkar, SL; Narendra Sharath Chandra, JN; Sadashiva, CT; Rangappa, KS Synthesis and screening for acetylcholinesterase inhibitor activity of some novel 2-butyl-1,3-diaza-spiro[4,4]non-1-en-4-ones: derivatives of irbesartan key intermediate. Bioorg Med Chem 15:7391-8 (2007) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache
Type:
Enzyme
Mol. Mass.:
71812.79
Organism:
Electric eel
Description:
n/a
Residue:
633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM50223062
Synonyms:
2-butyl-3-(4-nitrobenzyl)-1,3-diazaspiro[4,4]non-1-en-4-one | CHEMBL240792
Type:
Small organic molecule
Emp. Form.:
C18H23N3O3
Mol. Mass.:
329.3935
SMILES:
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)[N+]([O-])=O |t:4|
Structure:
Search PDB for entries with ligand similarity: