Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50307475'   

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))	BDBM50307475 ((1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-spiro...) Show SMILES CNC[C@@H](O)[C@@H](N1CC2(CCCCC2)c2ccccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C23H29FN2O/c1-25-15-21(27)22(17-8-7-9-18(24)14-17)26-16-23(12-5-2-6-13-23)19-10-3-4-11-20(19)26/h3-4,7-11,14,21-22,25,27H,2,5-6,12-13,15-16H2,1H3/t21-,22+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	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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