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 = 'BDBM50498053'   

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))	BDBM50498053 (CHEMBL3329545) Show SMILES CC1(C)CC1C(=O)N1CC2CC(C1)N2 |THB:5:7:10:13| Show InChI InChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	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 from human alpha4beta2 nAChR transfected in SH-EP1 cells by liquid scintillation counting				Eur J Med Chem 86: 60-74 (2014) Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50498053 (CHEMBL3329545) Show SMILES CC1(C)CC1C(=O)N1CC2CC(C1)N2 |THB:5:7:10:13| Show InChI InChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR transfected in SH-EP1 cells assessed as calcium flux by FLIPR assay				Eur J Med Chem 86: 60-74 (2014) Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50498053 (CHEMBL3329545) Show SMILES CC1(C)CC1C(=O)N1CC2CC(C1)N2 |THB:5:7:10:13| Show InChI InChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR low sensitivity isoform transfected in SH-EP1 cells assessed as calcium flux by FLIPR assay				Eur J Med Chem 86: 60-74 (2014) Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H
					More data for this Ligand-Target Pair