Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase' and Ligand = 'BDBM50136927'   

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))	BDBM50136927 (4-Chloro-N-[3-chloro-7-(cyclopropylmethyl-amino)-1...) Show SMILES Clc1n[nH]c2c(NCC3CC3)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12 Show InChI InChI=1S/C17H16Cl2N4O2S/c18-11-3-5-13(6-4-11)26(24,25)23-12-7-14-16(21-22-17(14)19)15(8-12)20-9-10-1-2-10/h3-8,10,20,23H,1-2,9H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	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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