Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50189524'   

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 (Homo sapiens (Human))	BDBM50189524 (CHEMBL378039 | N-(4-(3-(4-(2-(benzhydryloxy)ethyl)...) Show SMILES O=C(CCCCC1SCC2NC(=O)NC12)Nc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C38H49N5O3S/c44-35(16-8-7-15-34-36-33(28-47-34)40-38(45)41-36)39-32-19-17-29(18-20-32)10-9-21-42-22-24-43(25-23-42)26-27-46-37(30-11-3-1-4-12-30)31-13-5-2-6-14-31/h1-6,11-14,17-20,33-34,36-37H,7-10,15-16,21-28H2,(H,39,44)(H2,40,41,45)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at dopamine transporter				Bioorg Med Chem Lett 16: 4664-7 (2006) Article DOI: 10.1016/j.bmcl.2006.05.097 BindingDB Entry DOI: 10.7270/Q26H4H1T
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