Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase' and Ligand = 'BDBM50136935'   

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))	BDBM50136935 (3'-Methylsulfanyl-biphenyl-3-sulfonic acid (3-chlo...) Show SMILES CSc1cccc(c1)-c1cccc(c1)S(=O)(=O)Nc1cc(NCC(C)C)c2[nH]nc(Cl)c2c1 Show InChI InChI=1S/C24H25ClN4O2S2/c1-15(2)14-26-22-13-18(12-21-23(22)27-28-24(21)25)29-33(30,31)20-9-5-7-17(11-20)16-6-4-8-19(10-16)32-3/h4-13,15,26,29H,14H2,1-3H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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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