Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50250550'   

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))	BDBM50250550 (CHEMBL4071524) Show SMILES COc1cc(C)nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1 Show InChI InChI=1S/C20H20N2O2S/c1-15-13-19(24-2)22-18(21-15)14-25(23)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,20H,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]MPP+ at human NET expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured after ...				J Med Chem 60: 9330-9348 (2017) Article DOI: 10.1021/acs.jmedchem.7b01313 BindingDB Entry DOI: 10.7270/Q26112RW
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