Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50172758'   

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))	BDBM50172758 (1-(3,5-Dichloro-phenyl)-3-methyl-3-(3-methylamino-...) Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O/c1-20(8-5-9-23-2)13-14-6-3-4-7-18(14)24(19(20)25)17-11-15(21)10-16(22)12-17/h3-4,6-7,10-12,23H,5,8-9,13H2,1-2H3	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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