Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50115808'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50115808 (CHEMBL61616 | Dimethyl-[2-(pyridin-3-yloxy)-ethyl]...) Show SMILES CN(C)CCOc1cccnc1 Show InChI InChI=1S/C9H14N2O/c1-11(2)6-7-12-9-4-3-5-10-8-9/h3-5,8H,6-7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat brain homogenates				Bioorg Med Chem Lett 14: 523-6 (2003) BindingDB Entry DOI: 10.7270/Q20P117F
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50115808 (CHEMBL61616 | Dimethyl-[2-(pyridin-3-yloxy)-ethyl]...) Show SMILES CN(C)CCOc1cccnc1 Show InChI InChI=1S/C9H14N2O/c1-11(2)6-7-12-9-4-3-5-10-8-9/h3-5,8H,6-7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Affinity to alpha-4-beta-2 AChR				Bioorg Med Chem Lett 16: 2013-6 (2006) Article DOI: 10.1016/j.bmcl.2005.12.073 BindingDB Entry DOI: 10.7270/Q2WD41TH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50115808 (CHEMBL61616 | Dimethyl-[2-(pyridin-3-yloxy)-ethyl]...) Show SMILES CN(C)CCOc1cccnc1 Show InChI InChI=1S/C9H14N2O/c1-11(2)6-7-12-9-4-3-5-10-8-9/h3-5,8H,6-7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]nicotine from Homo sapiens (human) alpha4beta2 nicotinic acetylcholine receptor expressed in Homo sapiens (human) SH-EP1 cells af...				Citation and Details Article DOI: 10.1007/s00044-005-0137-8 BindingDB Entry DOI: 10.7270/Q2H9984W
					More data for this Ligand-Target Pair