Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-dehydroquinate synthase' and Ligand = 'BDBM93206'   

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
3-dehydroquinate synthase (Escherichia coli (strain K12))	BDBM93206 (2,4,5-trihydroxy-6-(phosphonatomethyl)oxane-2-carb...) Show SMILES OC1CC(O)(OC(CP([O-])([O-])=O)C1O)C([O-])=O Show InChI InChI=1S/C7H13O9P/c8-3-1-7(12,6(10)11)16-4(5(3)9)2-17(13,14)15/h3-5,8-9,12H,1-2H2,(H,10,11)(H2,13,14,15)/p-3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University					Assay Description Enzyme inhibition using dehydroquinate synthase.				Biochemistry 28: 7572-82 (1989) Article DOI: 10.1021/bi00445a011 BindingDB Entry DOI: 10.7270/Q24J0CRS
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