BDBM50161083 11,11-dimethyl-6-oxo-7-aza-11-azoniatricyclo[7.3.1.0~2,7~]trideca-2,4-diene iodide::CHEMBL181840

SMILES: C[N+]1(C)CC2CC(C1)c1cccc(=O)n1C2

InChI Key: InChIKey=QTCHKCVTZGJHQN-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50161083   

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))	BDBM50161083 (11,11-dimethyl-6-oxo-7-aza-11-azoniatricyclo[7.3.1...) Show SMILES C[N+]1(C)CC2CC(C1)c1cccc(=O)n1C2 |TLB:9:8:5:1.7.3,THB:12:14:5:1.7.3| Show InChI InChI=1S/C13H19N2O/c1-15(2)8-10-6-11(9-15)12-4-3-5-13(16)14(12)7-10/h3-5,10-11H,6-9H2,1-2H3/q+1	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	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Change in membrane potential in K-177 cells expressing acetylcholine central neuronal receptor alpha4-beta2 subunits				Bioorg Med Chem Lett 15: 1221-4 (2005) Article DOI: 10.1016/j.bmcl.2004.11.073 BindingDB Entry DOI: 10.7270/Q2DJ5GVR
					More data for this Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain (Homo sapiens (Human))	BDBM50161083 (11,11-dimethyl-6-oxo-7-aza-11-azoniatricyclo[7.3.1...) Show SMILES C[N+]1(C)CC2CC(C1)c1cccc(=O)n1C2 |TLB:9:8:5:1.7.3,THB:12:14:5:1.7.3| Show InChI InChI=1S/C13H19N2O/c1-15(2)8-10-6-11(9-15)12-4-3-5-13(16)14(12)7-10/h3-5,10-11H,6-9H2,1-2H3/q+1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors				Bioorg Med Chem Lett 15: 1221-4 (2005) Article DOI: 10.1016/j.bmcl.2004.11.073 BindingDB Entry DOI: 10.7270/Q2DJ5GVR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50161083 (11,11-dimethyl-6-oxo-7-aza-11-azoniatricyclo[7.3.1...) Show SMILES C[N+]1(C)CC2CC(C1)c1cccc(=O)n1C2 |TLB:9:8:5:1.7.3,THB:12:14:5:1.7.3| Show InChI InChI=1S/C13H19N2O/c1-15(2)8-10-6-11(9-15)12-4-3-5-13(16)14(12)7-10/h3-5,10-11H,6-9H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway 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	>100	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Effective concentration in KXalpha-3-beta-4R2 cells expressing rat nicotinic acetylcholine receptor alpha3-beta4 subunits				Bioorg Med Chem Lett 15: 1221-4 (2005) Article DOI: 10.1016/j.bmcl.2004.11.073 BindingDB Entry DOI: 10.7270/Q2DJ5GVR
					More data for this Ligand-Target Pair