Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50084339'   

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))	BDBM50084339 (CHEMBL443797 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C30H38N2O/c1-31(21-11-14-26-12-5-2-6-13-26)29-19-22-32(23-20-29)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	42	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))	BDBM50084339 (CHEMBL443797 | [1-(2-Benzhydryloxy-ethyl)-piperidi...) Show SMILES CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C30H38N2O/c1-31(21-11-14-26-12-5-2-6-13-26)29-19-22-32(23-20-29)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	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