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Target
Acetylcholinesterase
Ligand
BDBM192119
Substrate
n/a
Meas. Tech.
ABTS Free-Radical Cation Scavenging Assay
Temperature
298.15±n/a K
IC50
1.616e+4± 3.4e+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:
BDBM192119
Synonyms:
2-(4-(1-(2,4-dinitrobenzoyl)-3-(1H-indol-3-yl)-4,5-dihydro-1H-pyrazol-5-yl)phenoxy) acetic acid (Q2)
Type:
Small organic molecule
Emp. Form.:
C25H19N5O7
Mol. Mass.:
501.4477
SMILES:
OC(=O)COc1ccc(cc1)C1CC(=NN1c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1c[nH]c2ccccc12 |c:14|
Structure:
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