BDBM50275265 3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimethylammonium Oxalate::CHEMBL486774

SMILES: CC(CCOC(=O)N1CCC1)N(C)C

InChI Key: InChIKey=WZASBXBHEMOQLD-UHFFFAOYSA-N

Data: 5 KI  3 EC50

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 8 hits for monomerid = 50275265   

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))	BDBM50275265 (3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...) Show SMILES CC(CCOC(=O)N1CCC1)N(C)C Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells				J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50275265 (3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...) Show SMILES CC(CCOC(=O)N1CCC1)N(C)C Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay				J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50275265 (3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...) Show SMILES CC(CCOC(=O)N1CCC1)N(C)C Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells				J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50275265 (3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...) Show SMILES CC(CCOC(=O)N1CCC1)N(C)C Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells				J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50275265 (3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...) Show SMILES CC(CCOC(=O)N1CCC1)N(C)C Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells				J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50275265 (3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...) Show SMILES CC(CCOC(=O)N1CCC1)N(C)C Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human alpha-4-beta-2 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique				J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50275265 (3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...) Show SMILES CC(CCOC(=O)N1CCC1)N(C)C Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.20E+5	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human alpha-7 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique				J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D
					More data for this Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human))	BDBM50275265 (3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...) Show SMILES CC(CCOC(=O)N1CCC1)N(C)C Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.16E+5	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human alpha-3-beta-4 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique				J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D
					More data for this Ligand-Target Pair