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 = 'BDBM50056148'   

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 (Rattus norvegicus (Rat))	BDBM50056148 (2-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...) Show SMILES CN1CCC[C@H]1COc1cccnc1C Show InChI InChI=1S/C12H18N2O/c1-10-12(6-3-7-13-10)15-9-11-5-4-8-14(11)2/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells				Bioorg Med Chem Lett 8: 249-54 (1999) BindingDB Entry DOI: 10.7270/Q2P26X90
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50056148 (2-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...) Show SMILES CN1CCC[C@H]1COc1cccnc1C Show InChI InChI=1S/C12H18N2O/c1-10-12(6-3-7-13-10)15-9-11-5-4-8-14(11)2/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.				Bioorg Med Chem Lett 8: 249-54 (1999) BindingDB Entry DOI: 10.7270/Q2P26X90
					More data for this Ligand-Target Pair