Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50118604'   

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))	BDBM50118604 (1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NOS/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)33-18-15-21-13-16-32(17-14-21)20-27-19-24-3-1-2-4-28(24)34-27/h1-12,19,21,29H,13-18,20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Compound was tested for the inhibition of norepinephrine (NE) reuptake				J Med Chem 45: 4371-4 (2002) BindingDB Entry DOI: 10.7270/Q2RF5TCP
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