Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50159110
Substrate
n/a
Meas. Tech.
ChEMBL_471590 (CHEMBL940221)
IC50
3200±n/a nM
Citation
Bembenek, SD; Keith, JM; Letavic, MA; Apodaca, R; Barbier, AJ; Dvorak, L; Aluisio, L; Miller, KL; Lovenberg, TW; Carruthers, NI Lead identification of acetylcholinesterase inhibitors-histamine H3 receptor antagonists from molecular modeling. Bioorg Med Chem 16:2968-73 (2008) [PubMed] Article
More Info.:
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:
BDBM50159110
Synonyms:
1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piperidine | 1-(4-(3-(piperidin-1-yl)propoxy)benzyl)piperidine | 1-[3-(4-hexahydro-1-pyridinylmethylphenoxy)propyl]hexahydropyridine | 1-[4-(3-hexahydro-1-pyridinylpropoxy)benzyl]hexahydropyridine | CHEMBL129542 | JNJ-5207852
Type:
Small organic molecule
Emp. Form.:
C20H32N2O
Mol. Mass.:
316.4809
SMILES:
C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1