Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50047752
Substrate
n/a
Meas. Tech.
ChEMBL_29096 (CHEMBL636834)
IC50
430±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:
BDBM50047752
Synonyms:
2-{1-[2-({5-[(Ethyl-methyl-amino)-methyl]-furan-2-ylmethyl}-amino)-ethyl]-imidazolidin-2-ylidene}-malononitrile | CHEMBL346733
Type:
Small organic molecule
Emp. Form.:
C17H24N6O
Mol. Mass.:
328.4121
SMILES:
CCN(C)Cc1ccc(CNCCN2CCN=C2C(C#N)C#N)o1 |c:16|
Structure:
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