BDBM50201065 (1R,6S)-3-(5-ethoxy-pyridin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane::(1R,6S)-3-(5-ethoxypyridin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane::CHEMBL387339

SMILES: CCOc1cncc(c1)N1CC[C@H]2CN[C@H]2C1

InChI Key: InChIKey=INBUOVBAKJOFAC-GWCFXTLKSA-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 = 50201065   

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))	BDBM50201065 ((1R,6S)-3-(5-ethoxy-pyridin-3-yl)-3,8-diaza-bicycl...) Show SMILES CCOc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r| Show InChI InChI=1S/C13H19N3O/c1-2-17-12-5-11(7-14-8-12)16-4-3-10-6-15-13(10)9-16/h5,7-8,10,13,15H,2-4,6,9H2,1H3/t10-,13-/m0/s1	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	620	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR				J Med Chem 49: 7843-53 (2006) Article DOI: 10.1021/jm060846z BindingDB Entry DOI: 10.7270/Q28G8MZZ
					More data for this Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human))	BDBM50201065 ((1R,6S)-3-(5-ethoxy-pyridin-3-yl)-3,8-diaza-bicycl...) Show SMILES CCOc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r| Show InChI InChI=1S/C13H19N3O/c1-2-17-12-5-11(7-14-8-12)16-4-3-10-6-15-13(10)9-16/h5,7-8,10,13,15H,2-4,6,9H2,1H3/t10-,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	123	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research Curated by ChEMBL					Assay Description Agonist activity against human alpha3beta4 nAChR				Bioorg Med Chem Lett 19: 127-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.016 BindingDB Entry DOI: 10.7270/Q2T154WM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50201065 ((1R,6S)-3-(5-ethoxy-pyridin-3-yl)-3,8-diaza-bicycl...) Show SMILES CCOc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r| Show InChI InChI=1S/C13H19N3O/c1-2-17-12-5-11(7-14-8-12)16-4-3-10-6-15-13(10)9-16/h5,7-8,10,13,15H,2-4,6,9H2,1H3/t10-,13-/m0/s1	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	617	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research Curated by ChEMBL					Assay Description Agonist activity against human alpha4beta2 nAChR				Bioorg Med Chem Lett 19: 127-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.016 BindingDB Entry DOI: 10.7270/Q2T154WM
					More data for this Ligand-Target Pair