Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50262513'   

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))	BDBM50262513 (CHEMBL449277 | cis-3-(4-(6-(3-fluoropropoxy)-3,4-d...) Show SMILES FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:15.16,18.23,(10.45,-15.31,;10.45,-13.77,;9.11,-13,;9.12,-11.46,;7.78,-10.69,;6.45,-11.46,;6.45,-13,;5.11,-13.76,;3.79,-12.99,;2.46,-13.76,;1.13,-12.98,;1.13,-11.45,;2.47,-10.68,;3.8,-11.45,;5.13,-10.69,;-.2,-13.75,;-.2,-15.29,;-1.53,-16.06,;-2.87,-15.28,;-2.88,-13.76,;-1.54,-12.98,;-4.2,-16.06,;-4.35,-17.6,;-5.87,-17.93,;-6.65,-16.59,;-8.16,-16.28,;-8.64,-14.82,;-7.61,-13.66,;-6.11,-13.97,;-5.62,-15.43,;-8.09,-12.2,;-8.58,-10.74,)| Show InChI InChI=1S/C27H30FN3O/c28-11-1-13-32-24-8-5-22-18-31(12-10-21(22)15-24)23-6-3-20(4-7-23)26-17-30-27-9-2-19(16-29)14-25(26)27/h2,5,8-9,14-15,17,20,23,30H,1,3-4,6-7,10-13,18H2/t20-,23+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	772	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
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