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Target
Acetylcholinesterase
Ligand
BDBM50279989
Substrate
n/a
Meas. Tech.
ChEBML_28154
IC50
9810±n/a nM
Citation
 Desai, MC; Thadeio, PF; Lipinski, CA; Liston, DR; Spencer, RW; Williams, IH Physical parameters for brian uptake: optimizing log P, log D and pKa of T H A Bioorg Med Chem Lett 1:411-414 (1991)    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:
BDBM50279989
Synonyms:
10-Amino-6-chloro-3,4-dihydro-2H-1-oxa-9-azonia-anthracene | 6-Chloro-3,4-dihydro-2H-1-oxa-9-aza-anthracen-10-ylamine | CHEMBL134240
Type:
Small organic molecule
Emp. Form.:
C12H11ClN2O
Mol. Mass.:
234.682
SMILES:
Nc1c2CCCOc2nc2ccc(Cl)cc12
Structure:
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