Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM225280
Substrate
n/a
Meas. Tech.
Cholinesterase Activity Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
1.443e+5± 1.27e+3 nM
Comments
extracted
Citation
 Ozadali-Sari, K; Küçükkilinç, TT; Ayazgok, B; Balkan, A; Unsal-Tan, O Novel multi-targeted agents for Alzheimer's disease: Synthesis, biological evaluation, and molecular modeling of novel 2-[4-(4-substitutedpiperazin-1-yl)phenyl]benzimidazoles Bioorg Chem 72:208-214 (2017)   
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:
BDBM225280
Synonyms:
5-Methoxy-2-[4-(4-benzylpiperazin-1-yl)phenyl]-1H-benzo[d]imidazole (3h)
Type:
Small organic molecule
Emp. Form.:
C25H26N4O
Mol. Mass.:
398.5001
SMILES:
COc1ccc2[nH]c(nc2c1)-c1ccc(cc1)N1CCN(Cc2ccccc2)CC1
Structure:
Search PDB for entries with ligand similarity: