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BDBM50313079 3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromide::CHEMBL812::Mestinon::PYRIDOSTIGMINE::PYRIDOSTIGMINE BROMIDE::Pyridostigmine::Pyridostigmine (1)::Regonol

SMILES: CN(C)C(=O)Oc1ccc[n+](C)c1

InChI Key: InChIKey=RVOLLAQWKVFTGE-UHFFFAOYSA-N

Data: 3 KI  10 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50313079   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterases


(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)


Article DOI: 10.1021/jm00127a020
BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
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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1.97E+4n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase (AChE)


J Med Chem 45: 902-10 (2002)


Article DOI: 10.1021/jm010196t
BindingDB Entry DOI: 10.7270/Q22B8ZR5
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
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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1.14E+5n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Butyrylcholinesterase (BChE)


J Med Chem 45: 902-10 (2002)


Article DOI: 10.1021/jm010196t
BindingDB Entry DOI: 10.7270/Q22B8ZR5
More data for this
Ligand-Target Pair
Cholinesterases


(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
Cholinesterases


(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 4.00E+4n/an/an/an/an/an/a



Military Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE 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
Cholinesterases


(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/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
Cholinesterases


(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 4.00E+4n/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
Acetylcholinesterase


(Bos taurus (bovine))
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 50n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


Article DOI: 10.1021/jm00109a009
BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Cholinesterases


(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 360n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human whole RBC AChE 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
Cholinesterases


(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
Cholinesterases


(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 350n/an/an/an/an/an/a



Kazan (Volga region) Federal University

Curated by ChEMBL


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


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
Cholinesterases


(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
Bile salt export pump


(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+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]ICS-205-930 from 5-hydroxytryptamine 3 receptor in cultured NG-108-15 rat glioma cells


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair