Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM214670
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
732±n/a nM
Citation
 Chen, R; Feng, L; Zhang, Z; Fang, F; Dong, Q; Li, F; Wang, L; Hua, Y; Yang, S; Wang, P 1,4-dihydro-naphthyridine derivative and pharmaceutical composition and use thereof US Patent  US9284330 Publication Date 3/15/2016 
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:
BDBM214670
Synonyms:
US9284330, S20
Type:
Small organic molecule
Emp. Form.:
C21H21ClN4O4
Mol. Mass.:
428.869
SMILES:
COC(=O)C1=C(C)Nc2nc3C(Cl)CCCc3c(N)c2C1c1cccc(c1)[N+]([O-])=O |c:4|
Structure:
Search PDB for entries with ligand similarity: