Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50304328
Substrate
n/a
Meas. Tech.
ChEMBL_606473 (CHEMBL1065424)
IC50
796±n/a nM
Citation
 Yan, J; Sun, L; Wu, G; Yi, P; Yang, F; Zhou, L; Zhang, X; Li, Z; Yang, X; Luo, H; Qiu, M Rational design and synthesis of highly potent anti-acetylcholinesterase activity huperzine A derivatives. Bioorg Med Chem 17:6937-41 (2009) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
3.1.1.7 | ACES_TETCF | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor | ache
Type:
n/a
Mol. Mass.:
65900.74
Organism:
Tetronarce californica (Pacific electric ray) (Torpedo californica)
Description:
P04058
Residue:
586
Sequence:
MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIF
  
Inhibitor
Name:
BDBM50304328
Synonyms:
13-Ethylidene-11-methyl-1-[2-[1-phenyl-methylidene]-heptylideneamino]-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one | CHEMBL594186
Type:
Small organic molecule
Emp. Form.:
C29H34N2O
Mol. Mass.:
426.5931
SMILES:
CCCCC\C(\C=N\[C@@]12CC(C)=C[C@@H](Cc3[nH]c(=O)ccc13)\C2=C/C)=C/c1ccccc1 |r,c:11,TLB:16:15:22:10.9.12,11:10:22:15.21.14,THB:20:21:22:10.9.12|
Structure:
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