BindingDB PrimarySearch

BDBM50119791 1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridinium; iodide::1-Decyl-3-(1-methyl-pyrrolidin-2-yl)-pyridine;iodide::CHEMBL56296

SMILES: CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C

InChI Key: InChIKey=IGRBOGLDQXBDPE-FQEVSTJZSA-N

Data: 6 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50119791
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
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50119791 (1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...) Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0900	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
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50119791 (1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...) Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes				Bioorg Med Chem Lett 12: 3067-71 (2002) BindingDB Entry DOI: 10.7270/Q2Q81DNR
University of Kentucky Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50119791 (1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...) Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	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
University of Kentucky Curated by ChEMBL					More data for this Ligand-Target Pair
Creatine transporter (Rattus norvegicus)	BDBM50119791 (1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...) Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding affinity towards blood brain barrier choline transporter at 10 microM using rat brain				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
University of Kentucky Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50119791 (1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...) Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	8.40E+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
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50119791 (1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...) Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat br...				Bioorg Med Chem Lett 12: 3067-71 (2002) BindingDB Entry DOI: 10.7270/Q2Q81DNR
University of Kentucky Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50119791 (1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...) Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of acetylcholine-induced inward current at holding po...				Eur J Med Chem 101: 367-83 (2015) BindingDB Entry DOI: 10.7270/Q25M67H8
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair