Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50129596'   

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 (Rattus norvegicus (rat))	BDBM50129596 (Bis-(4-fluoro-phenyl)-(3-piperazin-1-yl-propyl)-am...) Show SMILES Fc1ccc(cc1)N(CCCN1CCNCC1)c1ccc(F)cc1 Show InChI InChI=1S/C19H23F2N3/c20-16-2-6-18(7-3-16)24(19-8-4-17(21)5-9-19)13-1-12-23-14-10-22-11-15-23/h2-9,22H,1,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA-IRP Curated by ChEMBL					Assay Description Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain				J Med Chem 46: 2589-98 (2003) Article DOI: 10.1021/jm030008u BindingDB Entry DOI: 10.7270/Q2H70GJN
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