Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50322525'   

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))	BDBM50322525 ((2S,3S)-2-(3-Nitrophenyl)-3,5,5-trimethylmorpholin...) Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C13H18N2O4/c1-9-13(16,19-8-12(2,3)14-9)10-5-4-6-11(7-10)15(17)18/h4-7,9,14,16H,8H2,1-3H3/t9-,13+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Barrow Neurological Institute Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 4731-48 (2010) Article DOI: 10.1021/jm1003232 BindingDB Entry DOI: 10.7270/Q2CF9Q9N
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