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Target
Acetylcholinesterase
Ligand
BDBM50092529
Substrate
n/a
Meas. Tech.
ChEMBL_1500860 (CHEMBL3588424)
IC50
10670±n/a nM
Citation
 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Isolation of cholinesterase andß-secretase 1 inhibiting compounds from Lycopodiella cernua. Bioorg Med Chem 23:3126-34 (2015) [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:
BDBM50092529
Synonyms:
CHEMBL3586197
Type:
Small organic molecule
Emp. Form.:
C30H46O3
Mol. Mass.:
454.6844
SMILES:
[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)C(=O)CC[C@]34C)CC1=CC(=O)[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C |r,c:25|
Structure:
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