Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50193760'   

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))	BDBM50193760 (1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-hydroxyethyl...) Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)cc(c1)C(C)=O Show InChI InChI=1S/C28H36FN3O4/c1-19(34)23-16-24(20(2)35)18-26(17-23)31-28(36)30-10-3-4-27-15-22(9-11-32(27)12-13-33)14-21-5-7-25(29)8-6-21/h5-8,16-18,22,27,33H,3-4,9-15H2,1-2H3,(H2,30,31,36)/t22-,27-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	451	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 16: 5695-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ
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