Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM159339'   

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))	BDBM159339 (US9034899, 29 | US9604960, 29) Show SMILES Fc1cc2C(CNCc2cc1-c1ccc(nn1)C(F)(F)F)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H13Cl2F4N3/c21-15-2-1-10(6-16(15)22)14-9-27-8-11-5-13(17(23)7-12(11)14)18-3-4-19(29-28-18)20(24,25)26/h1-7,14,27H,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....				US Patent US9604960 (2017) BindingDB Entry DOI: 10.7270/Q2QC05KM
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM159339 (US9034899, 29 | US9604960, 29) Show SMILES Fc1cc2C(CNCc2cc1-c1ccc(nn1)C(F)(F)F)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H13Cl2F4N3/c21-15-2-1-10(6-16(15)22)14-9-27-8-11-5-13(17(23)7-12(11)14)18-3-4-19(29-28-18)20(24,25)26/h1-7,14,27H,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34.1	n/a	n/a	n/a	n/a	7.5	4
Albany Molecular Research, Inc. US Patent					Assay Description Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....				US Patent US9034899 (2015) BindingDB Entry DOI: 10.7270/Q20000VT
					More data for this Ligand-Target Pair