BDBM50119801 (S)-3-(1-methylpyrrolidin-2-yl)-1-octylpyridinium iodide::3-((S)-1-Methyl-pyrrolidin-2-yl)-1-octyl-pyridinium; iodide::3-(1-Methyl-pyrrolidin-2-yl)-1-octyl-pyridine;iodide::CHEMBL293527

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

InChI Key: InChIKey=SWMTWUJSWRKEHH-SFHVURJKSA-N

Data: 5 KI  1 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 6 hits for monomerid = 50119801   

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 (Rattus norvegicus (Rat))	BDBM50119801 ((S)-3-(1-methylpyrrolidin-2-yl)-1-octylpyridinium ...) Show SMILES CCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C |r| Show InChI InChI=1S/C18H31N2/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3/q+1/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+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 Inhibition of [3H]-MLA binding to Nicotinic acetylcholine receptor alpha7 in 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
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50119801 ((S)-3-(1-methylpyrrolidin-2-yl)-1-octylpyridinium ...) Show SMILES CCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C |r| Show InChI InChI=1S/C18H31N2/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3/q+1/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
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
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50119801 ((S)-3-(1-methylpyrrolidin-2-yl)-1-octylpyridinium ...) Show SMILES CCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C |r| Show InChI InChI=1S/C18H31N2/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3/q+1/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+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 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))	BDBM50119801 ((S)-3-(1-methylpyrrolidin-2-yl)-1-octylpyridinium ...) Show SMILES CCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C |r| Show InChI InChI=1S/C18H31N2/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3/q+1/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.36E+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 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
					More data for this Ligand-Target Pair
Creatine transporter (Rattus norvegicus)	BDBM50119801 ((S)-3-(1-methylpyrrolidin-2-yl)-1-octylpyridinium ...) Show SMILES CCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C |r| Show InChI InChI=1S/C18H31N2/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3/q+1/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+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
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50119801 ((S)-3-(1-methylpyrrolidin-2-yl)-1-octylpyridinium ...) Show SMILES CCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C |r| Show InChI InChI=1S/C18H31N2/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3/q+1/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	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