Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50307468'   

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))	BDBM50307468 ((1S,2R)-1-(3-Fluorophenyl)-1-(3-isopropyl-2,3-dihy...) Show SMILES CNC[C@@H](O)[C@@H](N1CC(C(C)C)c2ccccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C21H27FN2O/c1-14(2)18-13-24(19-10-5-4-9-17(18)19)21(20(25)12-23-3)15-7-6-8-16(22)11-15/h4-11,14,18,20-21,23,25H,12-13H2,1-3H3/t18?,20-,21+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells				J Med Chem 53: 2051-62 (2010) Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS
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