Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50353684
Substrate
n/a
Meas. Tech.
ChEMBL_770411 (CHEMBL1833720)
IC50
3.4±n/a nM
Citation
 Tang, H; Zhao, LZ; Zhao, HT; Huang, SL; Zhong, SM; Qin, JK; Chen, ZF; Huang, ZS; Liang, H Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-inducedß-amyloid aggregation inhibitors. Eur J Med Chem 46:4970-9 (2011) [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:
BDBM50353684
Synonyms:
CHEMBL1830627
Type:
Small organic molecule
Emp. Form.:
C34H31N5O2
Mol. Mass.:
541.6422
SMILES:
O=C(CCNCCNc1c2CCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Structure:
Search PDB for entries with ligand similarity: