Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit beta-2/beta-4' and Ligand = 'BDBM50270406'   

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 beta-2/beta-4 (Mus musculus)	BDBM50270406 (CHEMBL4084130) Show SMILES [Br-].COc1cc2CC[N+](C)(Cc3ccccc3)Cc2cc1OC Show InChI InChI=1S/C19H24NO2.BrH/c1-20(13-15-7-5-4-6-8-15)10-9-16-11-18(21-2)19(22-3)12-17(16)14-20;/h4-8,11-12H,9-10,13-14H2,1-3H3;1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
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