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Target
Acetylcholinesterase
Ligand
BDBM8997
Substrate
n/a
Meas. Tech.
Cholinesterase Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
1.7e+3± 2e+2 nM
Comments
extracted
Citation
 Osman, W; Mohamed, T; Sit, VM; Vasefi, MS; Beazely, MA; Rao, PP Structure-activity relationship studies of benzyl-, phenethyl-, and pyridyl-substituted tetrahydroacridin-9-amines as multitargeting agents to treat Alzheimer's disease. Chem Biol Drug Des 88:710-723 (2016) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM8997
Synonyms:
N-Benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine (9a) | N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine | Tacrine Analogue 14
Type:
Small organic molecule
Emp. Form.:
C20H19ClN2
Mol. Mass.:
322.831
SMILES:
Clc1ccc2c(NCc3ccccc3)c3CCCCc3nc2c1
Structure:
Search PDB for entries with ligand similarity: