Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50294275'   

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))	BDBM50294275 (CHEMBL559654 | rac-3-((2,5-dichlorophenoxy)(piperi...) Show SMILES Clc1ccc(Cl)c(OC(C2CCNCC2)c2cccnc2)c1 Show InChI InChI=1S/C17H18Cl2N2O/c18-14-3-4-15(19)16(10-14)22-17(12-5-8-20-9-6-12)13-2-1-7-21-11-13/h1-4,7,10-12,17,20H,5-6,8-9H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
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