Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50241346
Substrate
n/a
Meas. Tech.
ChEMBL_1632706 (CHEMBL3875498)
IC50
182±n/a nM
Citation
 Khanam, H; Ali, A; Asif, M; Shamsuzzaman, na Neurodegenerative diseases linked to misfolded proteins and their therapeutic approaches: A review. Eur J Med Chem 124:1121-1141 (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:
BDBM50241346
Synonyms:
10-Amino-4-(4-methoxy-phenyl)-2-methyl-5,6,7,8-tetrahydro-4H-1-oxa-9-aza-anthracene-3-carboxylic acid ethyl ester | CHEMBL398628 | ethyl 5-amino-4-(4-methoxyphenyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrano[2,3-b]quinoline-3-carboxylate
Type:
Small organic molecule
Emp. Form.:
C23H26N2O4
Mol. Mass.:
394.4635
SMILES:
CCOC(=O)C1=C(C)Oc2nc3CCCCc3c(N)c2C1c1ccc(OC)cc1 |c:5|
Structure:
Search PDB for entries with ligand similarity: