Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50149942'   

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))	BDBM50149942 (CHEMBL3770663) Show SMILES CNC[C@@]1(CC[C@@](C)(O)CC1)c1ccc2ccccc2c1 |r,wU:6.7,wD:3.2,(-7.77,.92,;-6.7,1.54,;-5.36,.77,;-4.02,1.54,;-5.36,2.27,;-5.36,3.81,;-4.03,4.58,;-5.11,5.17,;-2.95,5.18,;-2.69,3.81,;-2.69,2.27,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C26H26BrN5O5S/c27-19-11-12-23(29-16-19)31-24(33)15-21(26(35)32-13-3-4-14-32)30-25(34)18-9-7-17(8-10-18)20-5-1-2-6-22(20)38(28,36)37/h1-2,5-12,16,21H,3-4,13-15H2,(H,30,34)(H2,28,36,37)(H,29,31,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
School of Medicine of University of Electronic Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant human norepinephrine transporter assessed as reduction in [3H]-NA reuptake				Bioorg Med Chem 24: 1419-30 (2016) Article DOI: 10.1016/j.bmc.2016.02.030 BindingDB Entry DOI: 10.7270/Q22N5444
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