Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50188016
Substrate
n/a
Meas. Tech.
ChEMBL_377861 (CHEMBL868604)
IC50
17.6±n/a nM
Citation
 Sadashiva, CT; Narendra Sharath Chandra, JN; Ponnappa, KC; Veerabasappa Gowda, T; Rangappa, KS Synthesis and efficacy of 1-[bis(4-fluorophenyl)-methyl]piperazine derivatives for acetylcholinesterase inhibition, as a stimulant of central cholinergic neurotransmission in Alzheimer's disease. Bioorg Med Chem Lett 16:3932-6 (2006) [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:
BDBM50188016
Synonyms:
1-[bis(4-fluoro-phenyl)-methyl]-4-(2-pyrrolidin-1-ylethyl)-piperazine | CHEMBL427232
Type:
Small organic molecule
Emp. Form.:
C23H29F2N3
Mol. Mass.:
385.4933
SMILES:
Fc1ccc(cc1)C(N1CCN(CCN2CCCC2)CC1)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: