Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50272689'   

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))	BDBM50272689 (((3R,4R)-4-(o-tolyloxy)-3,4-dihydro-1H-isochromen-...) Show SMILES Cc1ccccc1O[C@H]1[C@@H](CN)OCc2ccccc12 |r| Show InChI InChI=1S/C17H19NO2/c1-12-6-2-5-9-15(12)20-17-14-8-4-3-7-13(14)11-19-16(17)10-18/h2-9,16-17H,10-11,18H2,1H3/t16-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of dopamine uptake at human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4491-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.049 BindingDB Entry DOI: 10.7270/Q2S75H8V
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