Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50323681'   

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))	BDBM50323681 (CHEMBL1209243 | rac-exo-[6-(2-(5-Ethanesulfonylami...) Show SMILES CCS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C20H25N3O3S/c1-2-27(24,25)23-17-9-15(11-22-13-17)18-5-3-4-6-19(18)26-20-8-14-7-16(20)12-21-10-14/h3-6,9,11,13-14,16,20-21,23H,2,7-8,10,12H2,1H3/t14-,16-,20+/m1/s1	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	>604	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells				Bioorg Med Chem Lett 20: 4749-52 (2010) Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV
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