Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50208306
Substrate
n/a
Meas. Tech.
ChEMBL_1632560 (CHEMBL3875352)
IC50
63930±n/a nM
Citation
 Karaman, N; Sicak, Y; Taskin-Tok, T; Öztürk, M; Karaküçük-Iyidogan, A; Dikmen, M; Koçyigit-Kaymakçioglu, B; Oruç-Emre, EE New piperidine-hydrazone derivatives: Synthesis, biological evaluations and molecular docking studies as AChE and BChE inhibitors. Eur J Med Chem 124:270-283 (2016) [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:
BDBM50208306
Synonyms:
CHEMBL3883957
Type:
Small organic molecule
Emp. Form.:
C24H22N4O3
Mol. Mass.:
414.4565
SMILES:
[#8-]-[#7+](=O)-c1ccc(cc1)-[#6](=O)-[#7]\[#7]=[#6]-1\[#6]-[#6](-[#7]-[#6](-[#6]-1)-c1ccccc1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: