Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50037138
Substrate
n/a
Meas. Tech.
ChEMBL_715113 (CHEMBL1664219)
IC50
52.48±n/a nM
Citation
Araújo, JQ; de Brito, MA; Hoelz, LV; de Alencastro, RB; Castro, HC; Rodrigues, CR; Albuquerque, MG Receptor-dependent (RD) 3D-QSAR approach of a series of benzylpiperidine inhibitors of human acetylcholinesterase (HuAChE). Eur J Med Chem 46:39-51 (2010) [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:
BDBM50037138
Synonyms:
3-(1-Benzyl-piperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)-propan-1-one | 3-(1-benzylpiperidin-4-yl)-1-(indolin-5-yl)propan-1-one | CHEMBL75110
Type:
Small organic molecule
Emp. Form.:
C23H28N2O
Mol. Mass.:
348.4812
SMILES:
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2NCCc2c1