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 = 'BDBM50308114'   

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))	BDBM50308114 (2-(N-Cyclopentylamino)-3'-methylpropiophenone | CH...) Show SMILES CC(NC1CCCC1)C(=O)c1cccc(C)c1 Show InChI InChI=1S/C15H21NO/c1-11-6-5-7-13(10-11)15(17)12(2)16-14-8-3-4-9-14/h5-7,10,12,14,16H,3-4,8-9H2,1-2H3	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...				J Med Chem 53: 2204-14 (2010) Article DOI: 10.1021/jm9017465 BindingDB Entry DOI: 10.7270/Q2FN1693
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