Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50189526'   

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))	BDBM50189526 (CHEMBL263770 | N-(4-(3-(4-(2-(bis(4-fluorophenyl)m...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccc(NC(=O)CCCCCCCCCCS)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C39H53F2N3O2S/c40-35-18-14-33(15-19-35)39(34-16-20-36(41)21-17-34)46-30-29-44-27-25-43(26-28-44)24-9-10-32-12-22-37(23-13-32)42-38(45)11-7-5-3-1-2-4-6-8-31-47/h12-23,39,47H,1-11,24-31H2,(H,42,45)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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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