Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50577261
Substrate
n/a
Meas. Tech.
ChEMBL_2129867 (CHEMBL4839296)
Ki
120±n/a nM
Citation
 Spock, M; Carter, TR; Bollinger, KA; Han, C; Baker, LA; Rodriguez, AL; Peng, L; Dickerson, JW; Qi, A; Rook, JM; O'Neill, JC; Watson, KJ; Chang, S; Bridges, TM; Engers, JL; Engers, DW; Niswender, CM; Conn, PJ; Lindsley, CW; Bender, AM Discovery of VU6028418: A Highly Selective and Orally Bioavailable M ACS Med Chem Lett 12:1342-1349 (2021) [PubMed]  Article 
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:
BDBM50577261
Synonyms:
CHEMBL4849905
Type:
Small organic molecule
Emp. Form.:
C28H34N4
Mol. Mass.:
426.5964
SMILES:
C(CC1CCN(Cc2ccccc2)CC1)Nc1cc2CCCCc3ccccc3-c2nn1
Structure:
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