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Target
Acetylcholinesterase
Ligand
BDBM50318707
Substrate
n/a
Meas. Tech.
ChEMBL_633730 (CHEMBL1119101)
IC50
2000±n/a nM
Citation
 de Los Ríos, C; Egea, J; Marco-Contelles, J; León, R; Samadi, A; Iriepa, I; Moraleda, I; Gálvez, E; García, AG; López, MG; Villarroya, M; Romero, A Synthesis, inhibitory activity of cholinesterases, and neuroprotective profile of novel 1,8-naphthyridine derivatives. J Med Chem 53:5129-43 (2010) [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:
BDBM50318707
Synonyms:
CHEMBL1084250 | Methyl 5-Amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta-[b][1,8]naphthyridine-3-carboxylate
Type:
Small organic molecule
Emp. Form.:
C16H19N3O2
Mol. Mass.:
285.341
SMILES:
COC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C
Structure:
Search PDB for entries with ligand similarity: