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Target
Acetylcholinesterase
Ligand
BDBM50047735
Substrate
n/a
Meas. Tech.
ChEMBL_29096 (CHEMBL636834)
IC50
3100±n/a nM
Citation
 Sasho, S; Obase, H; Ichikawa, S; Kitazawa, T; Nonaka, H; Yoshizaki, R; Ishii, A; Shuto, K Synthesis of 2-imidazolidinylidenepropanedinitrile derivatives as stimulators of gastrointestinal motility. J Med Chem 36:572-9 (1993) [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:
BDBM50047735
Synonyms:
4-Amino-5-chloro-N-{2-[(5-dimethylaminomethyl-furan-2-ylmethyl)-amino]-ethyl}-2-methoxy-benzamide | CHEMBL152722
Type:
Small organic molecule
Emp. Form.:
C18H25ClN4O3
Mol. Mass.:
380.869
SMILES:
COc1cc(N)c(Cl)cc1C(=O)NCCNCc1ccc(CN(C)C)o1
Structure:
Search PDB for entries with ligand similarity: