Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50054746'   

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 dopamine transporter (Rattus norvegicus (rat))	BDBM50054746 ((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-4-(...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H36N2O/c1-25-24-32(26(2)23-31(25)20-12-15-27-13-6-3-7-14-27)21-22-33-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-19,25-26,30H,20-24H2,1-2H3/b15-12+/t25-,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of dopamine DA reuptake				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50054746 ((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-4-(...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H36N2O/c1-25-24-32(26(2)23-31(25)20-12-15-27-13-6-3-7-14-27)21-22-33-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-19,25-26,30H,20-24H2,1-2H3/b15-12+/t25-,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity against dopamine transporter using radioligand as [3H]GBR 12935				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair