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Target
Acetylcholinesterase
Ligand
BDBM50107890
Substrate
n/a
Meas. Tech.
ChEMBL_27818 (CHEMBL636708)
IC50
165±n/a nM
Citation
 Camps, P; Gómez, E; Muñoz-Torrero, D; Badia, A; Vivas, NM; Barril, X; Orozco, M; Luque, FJ Synthesis, in vitro pharmacology, and molecular modeling of syn-huprines as acetylcholinesterase inhibitors. J Med Chem 44:4733-6 (2001) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_BOVIN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor
Type:
Enzyme
Mol. Mass.:
67659.62
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
613
Sequence:
MRPPWCPLHTPSLTPPLLLLLFLIGGGAEAEGPEDPELLVMVRGGRLRGLRLMAPRGPVSAFLGIPFAEPPVGPRRFLPPEPKRPWPGVLNATAFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPSSPTPVLVWIYGGGFYSGASSLDVYDGRFLTQAEGTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGVGEARRRATLLARLVGCPPGGAGGNDTELVACLRARPAQDLVDHEWRVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAQFLAGVRVGVPQASDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLSWPLWMGVPHGYEIEFIFGLPLEPSLNYTIEERTFAQRLMRYWANFARTGDPNDPRDPKAPQWPPYTAGAQQYVSLNLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50107890
Synonyms:
(+/-)15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,15-hexaen-3-amine; hydrochloride | CHEMBL542497
Type:
Small organic molecule
Emp. Form.:
C18H20N2
Mol. Mass.:
264.3648
SMILES:
CCC1=CC2CC(C1)Cc1nc3ccccc3c(N)c21 |t:2,THB:17:19:5:3.2.7,10:9:5:3.2.7|
Structure:
Search PDB for entries with ligand similarity: