Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase' and Ligand = 'BDBM50136926'   

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
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136926 (Biphenyl-3-sulfonic acid (7-isobutylamino-3-methyl...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)cc2c(C)n[nH]c12 Show InChI InChI=1S/C24H26N4O2S/c1-16(2)15-25-23-14-20(13-22-17(3)26-27-24(22)23)28-31(29,30)21-11-7-10-19(12-21)18-8-5-4-6-9-18/h4-14,16,25,28H,15H2,1-3H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	498	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
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