Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-dehydroquinate synthase' and Ligand = 'BDBM50100862'   

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))	BDBM50100862 (3,4-Dihydroxy-5-(2-phosphono-ethyl)-benzoic acid |...) Show SMILES OC(=O)c1cc(O)c(O)c(CCP(O)(O)=O)c1 Show InChI InChI=1S/C9H11O7P/c10-7-4-6(9(12)13)3-5(8(7)11)1-2-17(14,15)16/h3-4,10-11H,1-2H2,(H,12,13)(H2,14,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition constant for binding to Zn2+ form of 3-dehydroquinate synthase (DHQ) purified from E. coli				Bioorg Med Chem Lett 11: 1493-6 (2001) BindingDB Entry DOI: 10.7270/Q2S75FMH
					More data for this Ligand-Target Pair
3-dehydroquinate synthase (Escherichia coli (strain K12))	BDBM50100862 (3,4-Dihydroxy-5-(2-phosphono-ethyl)-benzoic acid |...) Show SMILES OC(=O)c1cc(O)c(O)c(CCP(O)(O)=O)c1 Show InChI InChI=1S/C9H11O7P/c10-7-4-6(9(12)13)3-5(8(7)11)1-2-17(14,15)16/h3-4,10-11H,1-2H2,(H,12,13)(H2,14,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition constant for binding to Co2+ form of 3-dehydroquinate synthase (DHQ) purified from E. coli				Bioorg Med Chem Lett 11: 1493-6 (2001) BindingDB Entry DOI: 10.7270/Q2S75FMH
					More data for this Ligand-Target Pair