Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50084332'   

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))	BDBM50084332 ((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-piper...) Show SMILES C(CN1CCCC(CNCCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-21-32-22-11-15-27(25-32)24-31-20-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084332 ((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-piper...) Show SMILES C(CN1CCCC(CNCCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-21-32-22-11-15-27(25-32)24-31-20-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair