Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Equilibrative nucleoside transporter 1' and Ligand = 'BDBM50154700'   

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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50154700 (9-(4-Nitro-benzyl)-6-(4-nitro-benzylsulfanyl)-9H-p...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccc(cc4)[N+]([O-])=O)cnc23)cc1 Show InChI InChI=1S/C19H14N6O4S/c26-24(27)15-5-1-13(2-6-15)9-23-12-22-17-18(23)20-11-21-19(17)30-10-14-3-7-16(8-4-14)25(28)29/h1-8,11-12H,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]-NBTI binding to nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
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