Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50172780'   

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))	BDBM50172780 (3-(4-Methylamino-butyl)-1-phenyl-3,4-dihydro-1H-qu...) Show SMILES CNCCCCC1Cc2ccccc2N(C1=O)c1ccccc1 Show InChI InChI=1S/C20H24N2O/c1-21-14-8-7-10-17-15-16-9-5-6-13-19(16)22(20(17)23)18-11-3-2-4-12-18/h2-6,9,11-13,17,21H,7-8,10,14-15H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Ltd Curated by ChEMBL					Assay Description Inhibition of monoamine reuptake at dopamine transporter				Bioorg Med Chem Lett 15: 4432-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.038 BindingDB Entry DOI: 10.7270/Q2G44PTW
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