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Target
Acetylcholinesterase
Ligand
BDBM14754
Substrate
n/a
Meas. Tech.
ChEMBL_347063 (CHEMBL866863)
IC50
24330±n/a nM
Citation
 Markmee, S; Ruchirawat, S; Prachyawarakorn, V; Ingkaninan, K; Khorana, N Isoquinoline derivatives as potential acetylcholinesterase inhibitors. Bioorg Med Chem Lett 16:2170-2 (2006) [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:
BDBM14754
Synonyms:
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline | 6,7-dimethoxy-1-veratryl-isoquinoline;hydrochloride | CHEMBL19224 | Papaverine
Type:
Small organic molecule
Emp. Form.:
C20H21NO4
Mol. Mass.:
339.385
SMILES:
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
Structure:
Search PDB for entries with ligand similarity: