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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterases (Homo sapiens (Human)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) | 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 | |||||||||||
More data for this Ligand-Target Pair |