Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-dehydroquinate synthase' and Ligand = 'BDBM93205'   

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))	BDBM93205 (4,5-dihydroxy-6-(phosphonatomethyl)oxane-2-carboxy...) Show SMILES OC1CC(OC(CP([O-])([O-])=O)C1O)C([O-])=O Show InChI InChI=1S/C7H13O8P/c8-3-1-4(7(10)11)15-5(6(3)9)2-16(12,13)14/h3-6,8-9H,1-2H2,(H,10,11)(H2,12,13,14)/p-3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	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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