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Target
Acetylcholinesterase
Ligand
BDBM50614138
Substrate
n/a
Meas. Tech.
ChEMBL_2295738
IC50
170±n/a nM
Citation
 Asproni, B; Catto, M; Loriga, G; Murineddu, G; Corona, P; Purgatorio, R; Cichero, E; Fossa, P; Scarano, N; Martínez, AL; Brea, J; Pinna, GA Novel thienocycloalkylpyridazinones as useful scaffolds for acetylcholinesterase inhibition and serotonin 5-HT Bioorg Med Chem 84:0 (2023) [PubMed] 
Target
Name:
Acetylcholinesterase
Synonyms:
Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) | ACES_HUMAN | ACHE
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Human
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50614138
Synonyms:
CHEMBL5283494
Type:
Small organic molecule
Emp. Form.:
C23H28N4OS
Mol. Mass.:
408.57
SMILES:
O=C1CC2CCc3ccsc3C2=NN1CCN1CCN(Cc2ccccc2)CC1 |c:13|
Structure:
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