BDBM50274821 3-((Benzoyloxy)-1-methylpropyl)dimethylammonium Chloride::CHEMBL449444

SMILES: CC(CCOC(=O)c1ccccc1)N(C)C

InChI Key: InChIKey=WHPIHOIJTISZNC-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50274821   

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))	BDBM50274821 (3-((Benzoyloxy)-1-methylpropyl)dimethylammonium Ch...) Show SMILES CC(CCOC(=O)c1ccccc1)N(C)C Show InChI InChI=1S/C13H19NO2/c1-11(14(2)3)9-10-16-13(15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	320	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 (Rattus norvegicus (Rat))	BDBM50274821 (3-((Benzoyloxy)-1-methylpropyl)dimethylammonium Ch...) Show SMILES CC(CCOC(=O)c1ccccc1)N(C)C Show InChI InChI=1S/C13H19NO2/c1-11(14(2)3)9-10-16-13(15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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-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))	BDBM50274821 (3-((Benzoyloxy)-1-methylpropyl)dimethylammonium Ch...) Show SMILES CC(CCOC(=O)c1ccccc1)N(C)C Show InChI InChI=1S/C13H19NO2/c1-11(14(2)3)9-10-16-13(15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+5	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))	BDBM50274821 (3-((Benzoyloxy)-1-methylpropyl)dimethylammonium Ch...) Show SMILES CC(CCOC(=O)c1ccccc1)N(C)C Show InChI InChI=1S/C13H19NO2/c1-11(14(2)3)9-10-16-13(15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.90E+5	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