Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-phosphoshikimate 1-carboxyvinyltransferase' and Ligand = 'BDBM50281346'   

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-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281346 ((3R,4S,5R)-3,4-Dihydroxy-5-(oxalyl-amino)-cyclohex...) Show SMILES O[C@@H]1C=C(C[C@@H](NC(=O)C(O)=O)[C@@H]1O)C(O)=O |c:2| Show InChI InChI=1S/C9H11NO7/c11-5-2-3(8(14)15)1-4(6(5)12)10-7(13)9(16)17/h2,4-6,11-12H,1H2,(H,10,13)(H,14,15)(H,16,17)/t4-,5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for the inhibition of E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP).				Bioorg Med Chem Lett 3: 2857-2862 (1993) Article DOI: 10.1016/S0960-894X(01)80779-4 BindingDB Entry DOI: 10.7270/Q2SX6D43
					More data for this Ligand-Target Pair				3D Structure (docked)