Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50029088   

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)
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281342 ((3R,4R,5R)-5-(1-Carboxy-vinyloxy)-3,4-dihydroxy-cy...) Show SMILES O[C@@H]1C=C(C[C@@H](OC(=C)C(O)=O)[C@@H]1O)C(O)=O |c:2| Show InChI InChI=1S/C10H12O7/c1-4(9(13)14)17-7-3-5(10(15)16)2-6(11)8(7)12/h2,6-8,11-12H,1,3H2,(H,13,14)(H,15,16)/t6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>9.00E+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)
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281345 ((3R,4R,5R)-5-Carboxymethoxy-3,4-dihydroxy-cyclohex...) Show SMILES O[C@@H]1C=C(C[C@@H](OCC(O)=O)[C@@H]1O)C(O)=O |c:2| Show InChI InChI=1S/C9H12O7/c10-5-1-4(9(14)15)2-6(8(5)13)16-3-7(11)12/h1,5-6,8,10,13H,2-3H2,(H,11,12)(H,14,15)/t5-,6-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>9.00E+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)