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Target
Acetylcholinesterase
Ligand
BDBM50225215
Substrate
n/a
Meas. Tech.
ChEMBL_451097 (CHEMBL900177)
IC50
15.8±n/a nM
Citation
 Elsinghorst, PW; Cieslik, JS; Mohr, K; Tränkle, C; Gütschow, M First gallamine-tacrine hybrid: design and characterization at cholinesterases and the M2 muscarinic receptor. J Med Chem 50:5685-95 (2007) [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:
BDBM50225215
Synonyms:
N,N,N-triethyl-2-(3-(((6-(2-(1,2,3,4-tetrahydroacridin-9-yl)-hydrazino)-6-oxohexyl)amino)carbonyl)-5-((2-triethylammonio)-ethoxy)phenoxy)ethanammonium dibromide hydrochloride
Type:
Small organic molecule
Emp. Form.:
C42H66N6O4
Mol. Mass.:
719.0101
SMILES:
CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(c1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
Structure:
Search PDB for entries with ligand similarity: