Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM91726
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±0
Temperature
310.15±0 K
IC50
6.20e+5± 1.05e+4 nM
Kd
3.82e+3± 8.4e+3 nM
Citation
 Gholivand, K; Abdollahi, M; Mojahed, F; Alizadehgan, AM; Dehghan, G Acetylcholinesterase/butyrylcholinesterase inhibition activity of some new carbacylamidophosphate derivatives. J Enzyme Inhib Med Chem 24:566-76 (2009) [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:
BDBM91726
Synonyms:
Carbacylamidophosphate, 2b
Type:
Small organic molecule
Emp. Form.:
C15H21BrN3O4P
Mol. Mass.:
418.223
SMILES:
Brc1ccc(cc1)C(=O)NP(=O)(N1CCOCC1)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: