Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50084341'   

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))	BDBM50084341 ((2-Benzhydryloxy-ethyl)-(1-benzyl-piperidin-4-yl)-...) Show SMILES C(COC(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H32N2O/c1-4-10-23(11-5-1)22-29-19-16-26(17-20-29)28-18-21-30-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	180	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))	BDBM50084341 ((2-Benzhydryloxy-ethyl)-(1-benzyl-piperidin-4-yl)-...) Show SMILES C(COC(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H32N2O/c1-4-10-23(11-5-1)22-29-19-16-26(17-20-29)28-18-21-30-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	87	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