BindingDB PrimarySearch

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50313079
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cholinesterases (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibitory activity against Acetylcholinesterase (AChE)				J Med Chem 45: 902-10 (2002) BindingDB Entry DOI: 10.7270/Q22B8ZR5
Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibitory activity against Butyrylcholinesterase (BChE)				J Med Chem 45: 902-10 (2002) BindingDB Entry DOI: 10.7270/Q22B8ZR5
Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2BR8V31
Kazan (Volga region) Federal University Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/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
Military Health Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	1.60E+7	n/a	n/a	n/a	n/a	n/a	n/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
Military Health Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	7.4	n/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
University of Defence					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26D5TK2
University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/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
National Institute on Aging Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/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
National Institute on Aging Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2BR8V31
Kazan (Volga region) Federal University Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	1.60E+7	n/a	n/a	n/a	n/a	7.4	n/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
University of Defence					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair