Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50254830'   

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))	BDBM50254830 (4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...) Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cells				Bioorg Med Chem 17: 337-43 (2008) Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50254830 (4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...) Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cells				Bioorg Med Chem 17: 337-43 (2008) Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0
					More data for this Ligand-Target Pair