Reaction Details 
Report a problem with these data
Report a problem with these dataTarget
Acetylcholinesterase
Ligand
BDBM50028685
Substrate
n/a
Meas. Tech.
ChEMBL_1890173 (CHEMBL4391927)
IC50
0.720000±n/a nM
Citation
Chalupova, K; Korabecny, J; Bartolini, M; Monti, B; Lamba, D; Caliandro, R; Pesaresi, A; Brazzolotto, X; Gastellier, AJ; Nachon, F; Pejchal, J; Jarosova, M; Hepnarova, V; Jun, D; Hrabinova, M; Dolezal, R; Zdarova Karasova, J; Mzik, M; Kristofikova, Z; Misik, J; Muckova, L; Jost, P; Soukup, O; Benkova, M; Setnicka, V; Habartova, L; Chvojkova, M; Kleteckova, L; Vales, K; Mezeiova, E; Uliassi, E; Valis, M; Nepovimova, E; Bolognesi, ML; Kuca, K Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur J Med Chem 168:491-514 (2019) [PubMed] ArticleMore 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:
BDBM50028685
Synonyms:
CHEMBL3356536
Type:
Small organic molecule
Emp. Form.:
C25H22ClN3O3
Mol. Mass.:
447.913
SMILES:
Oc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4cc(Cl)ccc34)=CC(=O)c12 |c:30|
Structure:
