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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase' and Ligand = 'BDBM50312895'   
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
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50312895
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CCCCc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C31H37N3O2/c1-4-5-9-24-12-14-25(15-13-24)32-30(35)36-26-16-17-28-27(22-26)31(2)19-21-34(29(31)33(28)3)20-18-23-10-7-6-8-11-23/h6-8,10-17,22,29H,4-5,9,18-21H2,1-3H3,(H,32,35)/t29-,31-/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 980n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE 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