Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50250547'   

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))	BDBM50250547 (CHEMBL4077643) Show SMILES Cc1nc(O)cc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1 Show InChI InChI=1S/C19H18N2O2S/c1-14-20-17(12-18(22)21-14)13-24(23)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,19H,13H2,1H3,(H,20,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...				J Med Chem 60: 9330-9348 (2017) Article DOI: 10.1021/acs.jmedchem.7b01313 BindingDB Entry DOI: 10.7270/Q26112RW
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