Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-dehydroquinate dehydratase' and Ligand = 'BDBM14672'   

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 dehydratase (Streptomyces coelicolor)	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid | CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Binding affinity for Streptomyces coelicolor DHQase 2				J Med Chem 49: 1282-90 (2006) Article DOI: 10.1021/jm0505361 BindingDB Entry DOI: 10.7270/Q27P8XZF
					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Helicobacter pylori)	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid | CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Binding affinity for Helicobacter pylori DHQase 2				J Med Chem 49: 1282-90 (2006) Article DOI: 10.1021/jm0505361 BindingDB Entry DOI: 10.7270/Q27P8XZF
					More data for this Ligand-Target Pair				3D Structure (crystal)