Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50070680
Substrate
n/a
Meas. Tech.
ChEBML_29078
IC50
10000±n/a nM
Citation
 Zeng, F; Jiang, H; Tang, X; Chen, K; Ji, R Synthesis and acetylcholinesterase inhibitory activity of (+/-)-14-fluorohuperzine A. Bioorg Med Chem Lett 8:1661-4 (1999) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_RAT | Acetylcholinesterase (AChE) | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | Acetylcholinesterase precursor | Acetylcholinesterase, AChE | Ache
Type:
Enzyme
Mol. Mass.:
68193.62
Organism:
Rattus norvegicus (rat)
Description:
P37136
Residue:
614
Sequence:
MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL
  
Inhibitor
Name:
BDBM50070680
Synonyms:
1-Amino-13-[2-fluoro-eth-(E)-ylidene]-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one | CHEMBL45154
Type:
Small organic molecule
Emp. Form.:
C15H17FN2O
Mol. Mass.:
260.3067
SMILES:
CC1=CC2Cc3[nH]c(=O)ccc3C(N)(C1)\C2=C\CF |t:1,TLB:6:5:15:2.14.1,THB:0:1:15:11.5.4,10:11:15:2.14.1|
Structure:
Search PDB for entries with ligand similarity: