Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor Alpha-4/Beta-2' and Ligand = 'BDBM50079456'   

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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50079456 (2-Pyridin-3-yl-1-aza-bicyclo[2.2.2]octane | CHEMBL...) Show SMILES C1CN2CCC1CC2c1cccnc1 Show InChI InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept Inc Curated by ChEMBL					Assay Description Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand				J Med Chem 42: 3066-74 (1999) Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50079456 (2-Pyridin-3-yl-1-aza-bicyclo[2.2.2]octane | CHEMBL...) Show SMILES C1CN2CCC1CC2c1cccnc1 Show InChI InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept Inc Curated by ChEMBL					Assay Description Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair