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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50324859'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50324859
PNG
(1-benzoyllycorine | CHEMBL1222025)
Show SMILES O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H]([C@@H]23)[C@@H]1OC(=O)c1ccccc1 |r,t:2|
Show InChI InChI=1S/C23H21NO5/c25-17-8-14-6-7-24-11-15-9-18-19(28-12-27-18)10-16(15)20(21(14)24)22(17)29-23(26)13-4-2-1-3-5-13/h1-5,8-10,17,20-22,25H,6-7,11-12H2/t17-,20-,21+,22+/m0/s1
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Similars

Article
PubMed
540n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of AChE by Ellman's assay


Bioorg Med Chem Lett 20: 5290-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.130
BindingDB Entry DOI: 10.7270/Q2CN7437
More data for this
Ligand-Target Pair