Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50054745'   

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))	BDBM50054745 (CHEMBL357008 | [1-(2-Benzhydryloxy-ethyl)-azepan-3...) Show SMILES C(CNC1CCCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-13-26(14-5-1)15-12-21-31-29-20-10-11-22-32(25-29)23-24-33-30(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-9,13-14,16-19,29-31H,10-12,15,20-25H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	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))	BDBM50054745 (CHEMBL357008 | [1-(2-Benzhydryloxy-ethyl)-azepan-3...) Show SMILES C(CNC1CCCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1 Show InChI InChI=1S/C30H38N2O/c1-4-13-26(14-5-1)15-12-21-31-29-20-10-11-22-32(25-29)23-24-33-30(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-9,13-14,16-19,29-31H,10-12,15,20-25H2	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 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