Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM192116
Substrate
n/a
Meas. Tech.
Anticholinesterase Enzyme Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
7.4e+2± 9e+1 nM
Comments
extracted
Citation
 Chigurupati, S; Selvaraj, M; Mani, V; Selvarajan, KK; Mohammad, JI; Kaveti, B; Bera, H; Palanimuthu, VR; Teh, LK; Salleh, MZ Identification of novel acetylcholinesterase inhibitors: Indolopyrazoline derivatives and molecular docking studies. Bioorg Chem 67:9-17 (2016) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Human
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM192116
Synonyms:
(3-(1H-indol-3-yl)-5-phenyl-4,5-dihydropyrazol-1-yl)(phenyl) methanone (P3)
Type:
Small organic molecule
Emp. Form.:
C24H18N3O
Mol. Mass.:
364.4192
SMILES:
O=C(N1N=C(CC1c1ccccc1)c1cnc2ccccc12)c1ccccc1 |c:3|
Structure:
Search PDB for entries with ligand similarity: