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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase' and Ligand = 'BDBM50312894'   
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))
BDBM50312894
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)Nc3ccc(cc3)C(C)(C)C)ccc12
Show InChI InChI=1S/C31H37N3O2/c1-30(2,3)23-11-13-24(14-12-23)32-29(35)36-25-15-16-27-26(21-25)31(4)18-20-34(28(31)33(27)5)19-17-22-9-7-6-8-10-22/h6-16,21,28H,17-20H2,1-5H3,(H,32,35)/t28-,31-/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 430n/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