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Target
Acetylcholinesterase
Ligand
BDBM50380807
Substrate
n/a
Meas. Tech.
ChEMBL_813758 (CHEMBL2020016)
IC50
227±n/a nM
Citation
 Khorana, N; Changwichit, K; Ingkaninan, K; Utsintong, M Prospective acetylcholinesterase inhibitory activity of indole and its analogs. Bioorg Med Chem Lett 22:2885-8 (2012) [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:
BDBM50380807
Synonyms:
CHEMBL376478
Type:
Small organic molecule
Emp. Form.:
C40H50N4O2
Mol. Mass.:
618.8506
SMILES:
CC[C@@H]1CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](C[C@H]1C2C(=O)OC)c1ccc2c3CCN4C[C@@H]5C[C@H](CC)[C@H]4[C@@H](C5)c3[nH]c2c1 |r,TLB:43:42:39:41.34.33,28:29:39:41.34.33|
Structure:
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