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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50312892'   
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


(Mus musculus (mouse))
BDBM50312892
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CCCCCCNC(=O)Oc1ccc2N(C)[C@H]3N(CCc4ccccc4)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C27H37N3O2/c1-4-5-6-10-17-28-26(31)32-22-13-14-24-23(20-22)27(2)16-19-30(25(27)29(24)3)18-15-21-11-8-7-9-12-21/h7-9,11-14,20,25H,4-6,10,15-19H2,1-3H3,(H,28,31)/t25-,27-/m0/s1
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Similars

Article
PubMed
n/an/a 970n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE after 1 hr by modified Ellman's colorimetric method


Bioorg Med Chem Lett 20: 1721-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.035
BindingDB Entry DOI: 10.7270/Q27S7NWW
More data for this
Ligand-Target Pair