Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50047732
Substrate
n/a
Meas. Tech.
ChEMBL_29096 (CHEMBL636834)
IC50
>2000±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:
BDBM50047732
Synonyms:
(5-Dimethylaminomethyl-furan-2-ylmethyl)-[2-(2-nitromethylene-imidazolidin-1-yl)-ethyl]-amine | CHEMBL347729
Type:
Small organic molecule
Emp. Form.:
C14H23N5O3
Mol. Mass.:
309.3641
SMILES:
CN(C)Cc1ccc(CNCCN2CCN=C2C[N+]([O-])=O)o1 |c:15|
Structure:
Search PDB for entries with ligand similarity: