Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50199549
Substrate
n/a
Meas. Tech.
ChEMBL_441060 (CHEMBL890218)
pH
5±n/a
IC50
26.2±n/a nM
Comments
extracted
Citation
More Info.:
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:
BDBM50199549
Synonyms:
CHEMBL413240 | N,N'-dimethyl-N,N'-bis[3-(1-oxo-8,15-didehydrolycodino)propyl]-1,10-decanediamine
Type:
Small organic molecule
Emp. Form.:
C50H76N6O2
Mol. Mass.:
793.1774
SMILES:
CN(CCCCCCCCCCN(C)CCCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:37,63,THB:29:30:21:32.35.33,56:55:43:45.46.52,25:24:21:32.35.33|