Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50437492'   

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))	BDBM50437492 (CHEMBL2407115) Show SMILES CC(C)NC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1 |r| Show InChI InChI=1S/C12H22N2O/c1-8(2)14-12(15)11-4-9-3-10(5-11)7-13-6-9/h8-11,13H,3-7H2,1-2H3,(H,14,15)	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	23	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 from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50437492 (CHEMBL2407115) Show SMILES CC(C)NC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1 |r| Show InChI InChI=1S/C12H22N2O/c1-8(2)14-12(15)11-4-9-3-10(5-11)7-13-6-9/h8-11,13H,3-7H2,1-2H3,(H,14,15)	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	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nACHR in human SHEP1 cell membranes assessed as stimulation of calcium flux by FLIPR assay				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair