Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent taurine transporter' and Ligand = 'BDBM50248649'   

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- and chloride-dependent taurine transporter (Homo sapiens (Human))	BDBM50248649 (CHEMBL517631 | N-((4-(4-methylpyridin-2-yl)-1-(pro...) Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(CC1)c1cc(C)ccn1 Show InChI InChI=1S/C22H29N3O3S/c1-3-15-29(27,28)25-13-10-22(11-14-25,20-16-18(2)9-12-23-20)17-24-21(26)19-7-5-4-6-8-19/h4-9,12,16H,3,10-11,13-15,17H2,1-2H3,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of taurine transporter				Bioorg Med Chem Lett 19: 1488-91 (2009) Article DOI: 10.1016/j.bmcl.2008.12.115 BindingDB Entry DOI: 10.7270/Q2V124P3
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