Target
Acetylcholinesterase
Ligand
BDBM50032162
Substrate
n/a
Meas. Tech.
ChEMBL_28298 (CHEMBL644837)
IC50
0.33±n/a nM
Citation
 Villalobos, AButler, TWChapin, DSChen, YLDeMattos, SBIves, JLJones, SBListon, DRNagel, AANason, DM 5,7-dihydro-3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-6H- pyrrolo[3,2-f]-1,2-benzisoxazol-6-one: a potent and centrally-selective inhibitor of acetylcholinesterase with an improved margin of safety. J Med Chem 38:2802-8 (1995) [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:
BDBM50032162
Synonyms:
3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,7-dihydro-isoxazolo[4,5-f]indol-6-one; compound with (Z)-but-2-enedioic acid | CHEMBL329012 | CHEMBL359570
Type:
Small organic molecule
Emp. Form.:
C23H25N3O2
Mol. Mass.:
375.4635
SMILES:
O=C1Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1
Structure:
Search PDB for entries with ligand similarity: