Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50211028'   

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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50211028 (CHEMBL233532 | methyl 2-(biphenyl-4-yl)cyclohexane...) Show SMILES COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H22O2/c1-22-20(21)19-10-6-5-9-18(19)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-4,7-8,11-14,18-19H,5-6,9-10H2,1H3/t18-,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.58E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET expressed in COS1 cell membrane				Bioorg Med Chem 15: 4159-74 (2007) Article DOI: 10.1016/j.bmc.2007.03.069 BindingDB Entry DOI: 10.7270/Q2ZC83PB
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