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Target
Acetylcholinesterase
Ligand
BDBM50312900
Substrate
n/a
Meas. Tech.
ChEMBL_615894 (CHEMBL1102908)
IC50
>100000±n/a nM
Citation
 Takahashi, J; Hijikuro, I; Kihara, T; Murugesh, MG; Fuse, S; Tsumura, Y; Akaike, A; Niidome, T; Takahashi, T; Sugimoto, H Design, synthesis and evaluation of carbamate-modified (-)-N(1)-phenethylnorphysostigmine derivatives as selective butyrylcholinesterase inhibitors. Bioorg Med Chem Lett 20:1721-3 (2010) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_MOUSE | Acetylcholinesterase (AChE) | Acetylcholinesterase (mouse AChE) | Acetylcholinesterase precursor | Ache
Type:
Enzyme
Mol. Mass.:
68165.65
Organism:
Mus musculus (mouse)
Description:
n/a
Residue:
614
Sequence:
MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL
  
Inhibitor
Name:
BDBM50312900
Synonyms:
3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alpha-hexahydropyrrolo[2,3-b]indol-5-yl4-acetylphenylcarbamate | CHEMBL1081652
Type:
Small organic molecule
Emp. Form.:
C29H31N3O3
Mol. Mass.:
469.5747
SMILES:
CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)Nc3ccc(cc3)C(C)=O)ccc12 |r|
Structure:
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