Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM10750
Substrate
n/a
Meas. Tech.
ChEMBL_969894 (CHEMBL2404847)
IC50
50000±n/a nM
Citation
 Lu, C; Guo, Y; Yan, J; Luo, Z; Luo, HB; Yan, M; Huang, L; Li, X Design, synthesis, and evaluation of multitarget-directed resveratrol derivatives for the treatment of Alzheimer's disease. J Med Chem 56:5843-59 (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:
BDBM10750
Synonyms:
(3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-yl N-ethyl-N-methylcarbamate hydrochloride | Aminoindan deriv. (R)18b | Aminoindan deriv. (R)18b.HCl | N-propargylaminoindan (R)18b.HCl | R-CPAI
Type:
Small organic molecule
Emp. Form.:
C16H20N2O2
Mol. Mass.:
272.3422
SMILES:
CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
Structure:
Search PDB for entries with ligand similarity: