Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM192114
Substrate
n/a
Meas. Tech.
DPPH Radical Scavenging Assay
Temperature
298.15±n/a K
IC50
2.518e+4± 9.4e+2 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:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM192114
Synonyms:
3-(1H-indol-3-yl)-5-phenyl-4,5-dihydropyrazol-1-yl) (pyridin-4-yl) methanone (P1)
Type:
Small organic molecule
Emp. Form.:
C23H18N4O
Mol. Mass.:
366.4152
SMILES:
O=C(N1N=C(CC1c1ccccc1)c1c[nH]c2ccccc12)c1ccncc1 |c:3|
Structure:
Search PDB for entries with ligand similarity: