Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50371293'   

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))	BDBM50371293 (CHEMBL403377) Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2/c1-28-16-18-15-17(23(31)30-12-2-11-29(13-14-30)20-6-7-20)3-10-22(18)32-21-8-4-19(5-9-21)24(25,26)27/h3-5,8-10,15,20,28H,2,6-7,11-14,16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human DAT				Bioorg Med Chem Lett 18: 39-43 (2008) Article DOI: 10.1016/j.bmcl.2007.11.016 BindingDB Entry DOI: 10.7270/Q2R49RMD
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