Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM192115
Substrate
n/a
Meas. Tech.
Anticholinesterase Enzyme Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
6.082e+4± 1.5e+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:
BDBM192115
Synonyms:
(3-(1H-indol-3-yl)-5-phenyl-4,5-dihydropyrazol-1-yl)(2,4dinitrophenyl) methanone (P2)
Type:
Small organic molecule
Emp. Form.:
C23H17N5O4
Mol. Mass.:
427.4122
SMILES:
[O-][N+](=O)c1ccc(N2N=C(CC2c2ccccc2)c2c[nH]c3ccccc23)c(c1)[N+]([O-])=O |c:8|
Structure:
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