Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM10586
Substrate
n/a
Meas. Tech.
ChEMBL_811246 (CHEMBL2015198)
IC50
0.420000±n/a nM
Citation
Galdeano, C; Viayna, E; Sola, I; Formosa, X; Camps, P; Badia, A; Clos, MV; Relat, J; Ratia, M; Bartolini, M; Mancini, F; Andrisano, V; Salmona, M; Minguillón, C; González-Muñoz, GC; Rodríguez-Franco, MI; Bidon-Chanal, A; Luque, FJ; Muñoz-Torrero, D Huprine-tacrine heterodimers as anti-amyloidogenic compounds of potential interest against Alzheimer's and prion diseases. J Med Chem 55:661-9 (2012) [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:
BDBM10586
Synonyms:
3-Chloro-6,7,10,11-tetrahydro-9-methyl-12-{{3-{N-{3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]propyl}-N-methylamino}propyl}amino}-7,11-methanocycloocta[b]quinoline trihydrochloride | CHEMBL2011487 | Huprine-Tacrine Heterodimer 17d | [3-({7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11}.0^{4,9}]heptadeca-2(11),3,5,7,9,14-hexaen-3-yl}amino)propyl](methyl)[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amine trihydrochloride
Type:
Small organic molecule
Emp. Form.:
C37H44ClN5
Mol. Mass.:
594.232
SMILES:
CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2C3CC(Cc2nc2cc(Cl)ccc12)C=C(C)C3 |t:45|