BDBM50143302 (S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridinium iodide::1-Dodecyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridinium; iodide::CHEMBL55606
SMILES: CCCCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C
InChI Key: InChIKey=NAVBJWWCUOXXQB-QFIPXVFZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50143302 ((S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridiniu...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano Curated by ChEMBL | Assay Description Binding affinity to alpha4beta2 nAChR (unknown origin) | Eur J Med Chem 101: 367-83 (2015) BindingDB Entry DOI: 10.7270/Q25M67H8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50143302 ((S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridiniu...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky Curated by ChEMBL | Assay Description Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices | Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50143302 ((S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridiniu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano Curated by ChEMBL | Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat hippocampus membrane homogenates by gamma counting | Eur J Med Chem 101: 367-83 (2015) BindingDB Entry DOI: 10.7270/Q25M67H8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50143302 ((S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridiniu...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky Curated by ChEMBL | Assay Description Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices | Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP | |||||||||||
More data for this Ligand-Target Pair |