Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50172778'   

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))	BDBM50172778 (3-Ethyl-3-(3-methylamino-propyl)-1-p-tolyl-3,4-dih...) Show SMILES CCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H28N2O/c1-4-22(14-7-15-23-3)16-18-8-5-6-9-20(18)24(21(22)25)19-12-10-17(2)11-13-19/h5-6,8-13,23H,4,7,14-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Ltd Curated by ChEMBL					Assay Description Inhibition of monoamine reuptake at norepinephrine transporter				Bioorg Med Chem Lett 15: 4432-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.038 BindingDB Entry DOI: 10.7270/Q2G44PTW
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