Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50254049'   

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
Transporter (Rattus norvegicus (rat))	BDBM50254049 ((S)-N-methyl-4-(naphthalen-1-yl)-4-(thiophen-2-yl)...) Show SMILES CNCCC[C@H](c1cccs1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C19H21NS/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3/t18-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry				Bioorg Med Chem Lett 19: 58-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.022 BindingDB Entry DOI: 10.7270/Q2N58N95
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