Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50160899'   

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))	BDBM50160899 (3-[4-(4,5-Dinitro-thiophen-2-yl)-phenyl]-8-methyl-...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(c(s1)[N+]([O-])=O)[N+]([O-])=O)N2C |TLB:29:28:4.10.9:6.7,THB:2:4:28:6.7,11:10:28:6.7| Show InChI InChI=1S/C20H21N3O6S/c1-21-13-7-8-15(21)18(20(24)29-2)14(9-13)11-3-5-12(6-4-11)17-10-16(22(25)26)19(30-17)23(27)28/h3-6,10,13-15,18H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
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