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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50313079'   
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
Cholinesterase


(Homo sapiens (Human))
BDBM50313079
PNG
(3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...)
Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1
Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
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3.50E+3n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50313079
PNG
(3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...)
Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1
Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
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n/an/a 900n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE pretreated for 30 mins by Ellman technique


Bioorg Med Chem 18: 4687-93 (2011)


Article DOI: 10.1016/j.bmc.2010.05.022
BindingDB Entry DOI: 10.7270/Q2KS6SHB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50313079
PNG
(3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...)
Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1
Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Kazan (Volga region) Federal University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...


Bioorg Med Chem Lett 26: 4092-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.070
BindingDB Entry DOI: 10.7270/Q2BR8V31
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50313079
PNG
(3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...)
Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1
Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
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n/an/a 1.60E+7n/an/an/an/a7.4n/a



University of Defence



Assay Description
Human erythrocyte AChE or human plasmatic BChE (Prague, Aldrich; commercially purified by affinity chromatography) were suspended into phosphate buff...


J Enzyme Inhib Med Chem 26: 245-53 (2011)


Article DOI: 10.3109/14756366.2010.496362
BindingDB Entry DOI: 10.7270/Q21N800H
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50313079
PNG
(3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...)
Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1
Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
PDB
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Article
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n/an/a 1.60E+7n/an/an/an/an/an/a



Military Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 20: 1763-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.034
BindingDB Entry DOI: 10.7270/Q2BK1CGS
More data for this
Ligand-Target Pair