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Target
Acetylcholinesterase
Ligand
BDBM50342607
Substrate
n/a
Meas. Tech.
ChEMBL_744973 (CHEMBL1771988)
IC50
22000±n/a nM
Citation
 Bolognesi, ML; Bartolini, M; Tarozzi, A; Morroni, F; Lizzi, F; Milelli, A; Minarini, A; Rosini, M; Hrelia, P; Andrisano, V; Melchiorre, C Multitargeted drugs discovery: balancing anti-amyloid and anticholinesterase capacity in a single chemical entity. Bioorg Med Chem Lett 21:2655-8 (2011) [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:
BDBM50342607
Synonyms:
2,5-bis(6-(benzo[d]thiazol-2-ylmethylamino)hexylamino)cyclohexa-2,5-diene-1,4-dione | CHEMBL1770553
Type:
Small organic molecule
Emp. Form.:
C34H42N6O2S2
Mol. Mass.:
630.866
SMILES:
Oc1cc(N=CCCCCCNCc2nc3ccccc3s2)c(O)cc1NCCCCCCNCc1nc2ccccc2s1 |w:4.3|
Structure:
Search PDB for entries with ligand similarity: