Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with Target = '5-enolpyruvylshikimate-3-phosphate synthase'   

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
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281351 ((Phosphonomethyl-amino)-acetic acid methyl ester |...) Show SMILES COC(=O)CNCP(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c1-10-4(6)2-5-3-11(7,8)9/h5H,2-3H2,1H3,(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281349 (CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...) Show SMILES OC(=O)CNCP(O)(O)=O Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283574 (3-(Carboxy-phosphono-methoxy)-5-phosphonooxy-benzo...) Show SMILES OP([O-])(=O)Oc1cc(OC(C([O-])=O)P(O)([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C9H10O12P2/c10-7(11)4-1-5(3-6(2-4)21-23(17,18)19)20-9(8(12)13)22(14,15)16/h1-3,9H,(H,10,11)(H,12,13)(H2,14,15,16)(H2,17,18,19)/p-4	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281356 (3-Amino-4-phosphono-butyric acid | CHEMBL98402) Show SMILES NC(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c5-3(1-4(6)7)2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281347 (2-(Phosphonomethyl-amino)-propionic acid | CHEMBL9...) Show SMILES CC(NCP(O)(O)=O)C(O)=O Show InChI InChI=1S/C4H10NO5P/c1-3(4(6)7)5-2-11(8,9)10/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281350 ((1-Phosphono-ethylamino)-acetic acid | CHEMBL33043...) Show SMILES CC(NCC(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c1-3(11(8,9)10)5-2-4(6)7/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283579 (CHEMBL314675 | Di sodium;3,5-Bis-phosphonooxy-benz...) Show SMILES OC(=O)c1cc(OP(O)([O-])=O)cc(OP(O)([O-])=O)c1 Show InChI InChI=1S/C7H8O10P2/c8-7(9)4-1-5(16-18(10,11)12)3-6(2-4)17-19(13,14)15/h1-3H,(H,8,9)(H2,10,11,12)(H2,13,14,15)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283578 ((3R,4R,5R)-5-Carboxymethoxy-4-hydroxy-3-phosphonoo...) Show SMILES O[C@@H]1[C@@H](CC(=C[C@H]1OP(O)([O-])=O)C([O-])=O)OCC([O-])=O Show InChI InChI=1S/C9H13O10P/c10-7(11)3-18-5-1-4(9(13)14)2-6(8(5)12)19-20(15,16)17/h2,5-6,8,12H,1,3H2,(H,10,11)(H,13,14)(H2,15,16,17)/p-3/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	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281993 (CHEMBL287334 | Trisodium salt of (3R,4S,5R)-5-Carb...) Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)([O-])=O)C([O-])=O)OCC([O-])=O Show InChI InChI=1S/C9H13O10P/c10-7(11)3-18-5-1-4(9(13)14)2-6(8(5)12)19-20(15,16)17/h2,5-6,8,12H,1,3H2,(H,10,11)(H,13,14)(H2,15,16,17)/p-3/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	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281354 ((Methyl-phosphonomethyl-amino)-acetic acid | CHEMB...) Show SMILES CN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c1-5(2-4(6)7)3-11(8,9)10/h2-3H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281990 (CHEMBL33426 | Trisodium salt of (3R,4S,5R)-5-(1-Ca...) Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)([O-])=O)C([O-])=O)OC(=C)C([O-])=O Show InChI InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/p-3/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	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283582 (2-(3-Carboxy-5-dicarboxymethoxy-phenoxy)-malonic a...) Show SMILES OC(=O)C(Oc1cc(OC(C(O)=O)C(O)=O)cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C13H10O12/c14-9(15)4-1-5(24-7(10(16)17)11(18)19)3-6(2-4)25-8(12(20)21)13(22)23/h1-3,7-8H,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281352 ((Hydroxyphosphinoylmethyl-amino)-acetic acid | CHE...) Show SMILES OP(O)C=NCC(O)=O Show InChI InChI=1S/C3H6NO4P/c5-3(6)1-4-2-9(7)8/h2,7-8H,1H2,(H,5,6)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase				Bioorg Med Chem Lett 3: 2863-2868 (1993) Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283575 (3-Carboxymethoxy-5-phosphonooxy-benzoic acid; tris...) Show SMILES OP([O-])(=O)Oc1cc(OCC([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C9H9O9P/c10-8(11)4-17-6-1-5(9(12)13)2-7(3-6)18-19(14,15)16/h1-3H,4H2,(H,10,11)(H,12,13)(H2,14,15,16)/p-3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283583 (CHEMBL314530 | sodium 3-(carboxylatomethoxy)-5-(di...) Show SMILES OC(=O)C(Oc1cc(OCC([O-])=O)cc(c1)C([O-])=O)C(O)=O Show InChI InChI=1S/C12H10O10/c13-8(14)4-21-6-1-5(10(15)16)2-7(3-6)22-9(11(17)18)12(19)20/h1-3,9H,4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283584 (CHEMBL88887 | disodium hydrogen 3-carboxy-5-[(hydr...) Show SMILES OC(=O)c1cc(CP(O)([O-])=O)cc(CP(O)([O-])=O)c1 Show InChI InChI=1S/C9H12O8P2/c10-9(11)8-2-6(4-18(12,13)14)1-7(3-8)5-19(15,16)17/h1-3H,4-5H2,(H,10,11)(H2,12,13,14)(H2,15,16,17)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283580 (CHEMBL432180 | Tri-Sodium; 3-carboxymethoxy-5-(hyd...) Show SMILES OP(O)([O-])C(=O)c1cc(OCC([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C10H10O9P/c11-8(12)4-19-7-2-5(9(13)14)1-6(3-7)10(15)20(16,17)18/h1-3,16-17,20H,4H2,(H,11,12)(H,13,14)/q-1/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281995 (CHEMBL284334 | Disodium salt of 3-Phosphonooxy-cyc...) Show SMILES OP([O-])(=O)OC1CCCC(=C1)C([O-])=O Show InChI InChI=1S/C7H11O6P/c8-7(9)5-2-1-3-6(4-5)13-14(10,11)12/h4,6H,1-3H2,(H,8,9)(H2,10,11,12)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283581 (3-Hydroxy-5-phosphonooxy-benzoic acid;disodium | C...) Show SMILES Oc1cc(OP(O)([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C7H7O7P/c8-5-1-4(7(9)10)2-6(3-5)14-15(11,12)13/h1-3,8H,(H,9,10)(H2,11,12,13)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283581 (3-Hydroxy-5-phosphonooxy-benzoic acid;disodium | C...) Show SMILES Oc1cc(OP(O)([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C7H7O7P/c8-5-1-4(7(9)10)2-6(3-5)14-15(11,12)13/h1-3,8H,(H,9,10)(H2,11,12,13)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283586 (3-Hydroxy-5-(hydroxy-phosphonomethyl)-benzoic acid...) Show SMILES Oc1cc(cc(c1)C(=O)P(O)(O)[O-])C([O-])=O Show InChI InChI=1S/C8H8O7P/c9-6-2-4(7(10)11)1-5(3-6)8(12)16(13,14)15/h1-3,9,13-14,16H,(H,10,11)/q-1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283572 (CHEMBL262641 | Sodium; (3-carboxy-5-phosphonomethy...) Show SMILES OP([O-])(=O)Cc1cc(OCC([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C10H11O8P/c11-9(12)4-18-8-2-6(5-19(15,16)17)1-7(3-8)10(13)14/h1-3H,4-5H2,(H,11,12)(H,13,14)(H2,15,16,17)/p-3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50288342 (2-(3-Carboxy-5-hydroxy-phenoxy)-malonic acid | CHE...) Show SMILES OC(=O)C(Oc1cc(O)cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C10H8O8/c11-5-1-4(8(12)13)2-6(3-5)18-7(9(14)15)10(16)17/h1-3,7,11H,(H,12,13)(H,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283577 (CHEMBL88094 | Sodium; (3-carboxy-5-phosphono-pheno...) Show SMILES OP(O)(=O)c1cc(OCC([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C9H9O8P/c10-8(11)4-17-6-1-5(9(12)13)2-7(3-6)18(14,15)16/h1-3H,4H2,(H,10,11)(H,12,13)(H2,14,15,16)/p-2	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 Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (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 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)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283585 (CHEMBL89228 | Sodium; 3-dicarboxymethoxy-5-hydroxy...) Show SMILES OC(=O)C(Oc1cc(O)cc(c1)C([O-])=O)C(O)=O Show InChI InChI=1S/C10H8O8/c11-5-1-4(8(12)13)2-6(3-5)18-7(9(14)15)10(16)17/h1-3,7,11H,(H,12,13)(H,14,15)(H,16,17)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281987 (2-(3-Carboxy-cyclohex-2-enyloxy)-malonic acid | CH...) Show SMILES OC(=O)C(OC1CCCC(=C1)C(O)=O)C(O)=O Show InChI InChI=1S/C10H12O7/c11-8(12)5-2-1-3-6(4-5)17-7(9(13)14)10(15)16/h4,6-7H,1-3H2,(H,11,12)(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	1.50E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50288338 (2-(5-Carboxy-2-hydroxy-phenyl)-2-hydroxy-malonic a...) Show SMILES OC(=O)c1ccc(O)c(c1)C(O)(C(O)=O)C(O)=O Show InChI InChI=1S/C10H8O8/c11-6-2-1-4(7(12)13)3-5(6)10(18,8(14)15)9(16)17/h1-3,11,18H,(H,12,13)(H,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50288343 (3-Phosphono-benzoic acid | CHEMBL97210) Show SMILES OC(=O)c1cccc(c1)P(O)(O)=O Show InChI InChI=1S/C7H7O5P/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50288341 (1-Phosphonomethyl-1H-pyrrole-2-carboxylic acid | C...) Show SMILES OC(=O)c1cccn1CP(O)(O)=O Show InChI InChI=1S/C6H8NO5P/c8-6(9)5-2-1-3-7(5)4-13(10,11)12/h1-3H,4H2,(H,8,9)(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50288340 (5-Phosphono-pyrrolidine-2-carboxylic acid | CHEMBL...) Show SMILES OC(=O)C1CCC(=N1)P(O)(O)O Show InChI InChI=1S/C5H10NO5P/c7-5(8)3-1-2-4(6-3)12(9,10)11/h3,9-12H,1-2H2,(H,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50288337 (6-Phosphono-pyridine-2-carboxylic acid | CHEMBL953...) Show SMILES OC(=O)c1cccc(n1)P(O)(O)=O Show InChI InChI=1S/C6H6NO5P/c8-6(9)4-2-1-3-5(7-4)13(10,11)12/h1-3H,(H,8,9)(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50283573 (CHEMBL89190 | Sodium; 3-hydroxy-5-phosphonomethyl-...) Show SMILES Oc1cc(CP(O)(O)=O)cc(c1)C([O-])=O Show InChI InChI=1S/C8H9O6P/c9-7-2-5(4-15(12,13)14)1-6(3-7)8(10)11/h1-3,9H,4H2,(H,10,11)(H2,12,13,14)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>8.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli EPSP synthase				Bioorg Med Chem Lett 4: 2605-2608 (1994) Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281997 (3-Phosphonomethylene-cyclohex-1-enecarboxylic acid...) Show SMILES OC(=O)C1=C\C(CCC1)=C/P(O)(O)=O Show InChI InChI=1S/C8H11O5P/c9-8(10)7-3-1-2-6(4-7)5-14(11,12)13/h4-5H,1-3H2,(H,9,10)(H2,11,12,13)/b6-5-	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 Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281996 (2-(3-Carboxy-cyclohex-2-enyl)-malonic acid | CHEMB...) Show SMILES OC(=O)C(C1CCCC(=C1)C(O)=O)C(O)=O Show InChI InChI=1S/C10H12O6/c11-8(12)6-3-1-2-5(4-6)7(9(13)14)10(15)16/h4-5,7H,1-3H2,(H,11,12)(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281994 (CHEMBL430544 | Disodium salt of (3R,4R,5R)-5-(1-Ca...) Show SMILES O[C@@H]1C=C(C[C@@H](OC(=C)C([O-])=O)[C@@H]1O)C([O-])=O 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)/p-2/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 Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281992 (CHEMBL32407 | Disodium salt of 3-Phosphonomethyl-c...) Show SMILES OP([O-])(=O)CC1=CC(CCC1)C([O-])=O Show InChI InChI=1S/C8H13O5P/c9-8(10)7-3-1-2-6(4-7)5-14(11,12)13/h4,7H,1-3,5H2,(H,9,10)(H2,11,12,13)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281989 (CHEMBL285416 | Sodium; (3-carboxy-5,6-dihydroxy-cy...) Show SMILES O[C@@H]1C=C(C[C@@H](OC(=O)CP(O)([O-])=O)[C@@H]1O)C([O-])=O Show InChI InChI=1S/C9H13O9P/c10-5-1-4(9(13)14)2-6(8(5)12)18-7(11)3-19(15,16)17/h1,5-6,8,10,12H,2-3H2,(H,13,14)(H2,15,16,17)/p-2/t5-,6-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (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 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 Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281986 (3-Phosphonomethylene-cyclohex-1-enecarboxylic acid...) Show SMILES OC(=O)C1=C\C(CCC1)=C\P(O)(O)=O Show InChI InChI=1S/C8H11O5P/c9-8(10)7-3-1-2-6(4-7)5-14(11,12)13/h4-5H,1-3H2,(H,9,10)(H2,11,12,13)/b6-5+	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 Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (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 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)
5-enolpyruvylshikimate-3-phosphate synthase (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 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)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281998 ((3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carbox...) Show SMILES O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O Show InChI InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB 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 Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50281991 (3-Phosphonomethoxy-cyclohex-1-enecarboxylic acid |...) Show SMILES OC(=O)C1=CC(CCC1)OCP(O)(O)=O Show InChI InChI=1S/C8H13O6P/c9-8(10)6-2-1-3-7(4-6)14-5-15(11,12)13/h4,7H,1-3,5H2,(H,9,10)(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase				Bioorg Med Chem Lett 3: 1435-1440 (1993) Article DOI: 10.1016/S0960-894X(01)80425-X BindingDB Entry DOI: 10.7270/Q2SN08W8
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50403588 (CHEMBL1627015) Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)(O)=O)C([O-])=O)O[C@@](OP(O)(O)=O)(C(F)F)C(O)=O Show InChI InChI=1S/C10H14F2O14P2/c11-8(12)10(9(16)17,26-28(21,22)23)24-4-1-3(7(14)15)2-5(6(4)13)25-27(18,19)20/h2,4-6,8,13H,1H2,(H,14,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)/p-1/t4-,5-,6+,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50403587 (CHEMBL1627013) Show SMILES C[C@@](O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C([O-])=O)(C(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H16O13P2/c1-10(9(14)15,24(16,17)18)22-5-2-4(8(12)13)3-6(7(5)11)23-25(19,20)21/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/p-1/t5-,6-,7+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50280240 ((3R,4S,5R)-4-hydroxy-5-[(1S)-1-methyl-2-oxido-2-ox...) Show SMILES C[C@@](O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O)(C([O-])=O)P([O-])([O-])=O Show InChI InChI=1S/C10H16O13P2/c1-10(9(14)15,24(16,17)18)22-5-2-4(8(12)13)3-6(7(5)11)23-25(19,20)21/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/p-6/t5-,6-,7+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency against EPSP synthase				Bioorg Med Chem Lett 2: 1435-1440 (1992) Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50403591 (CHEMBL1160691) Show SMILES OC(=O)c1cc(c[nH]1)C(=O)P(O)(O)O Show InChI InChI=1S/C6H8NO6P/c8-5(9)4-1-3(2-7-4)6(10)14(11,12)13/h1-2,7,11-14H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50403585 (CHEMBL1627010) Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)(O)=O)C([O-])=O)O[C@](OP(O)(O)=O)(C(O)=O)C(F)(F)F Show InChI InChI=1S/C10H13F3O14P2/c11-10(12,13)9(8(17)18,27-29(22,23)24)25-4-1-3(7(15)16)2-5(6(4)14)26-28(19,20)21/h2,4-6,14H,1H2,(H,15,16)(H,17,18)(H2,19,20,21)(H2,22,23,24)/p-1/t4-,5-,6+,9+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50123088 (6,7-Dihydroxy-2-[1-(2-hydroxy-4-methoxy-phenyl)-me...) Show SMILES COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1 Show InChI InChI=1S/C16H12O6/c1-21-9-3-2-8(12(18)7-9)6-13-14(19)10-4-5-11(17)15(20)16(10)22-13/h2-7,17-18,20H,1H3/b13-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PanTherix Ltd. Curated by ChEMBL					Assay Description Competitive inhibitory activity of the compound was determined with respect to EPSP (5-enolpyruvylshikimate- 3-phosphate) synthase				Bioorg Med Chem Lett 13: 423-6 (2003) Article DOI: 10.1016/s0960-894x(02)00957-5 BindingDB Entry DOI: 10.7270/Q2TH8M2M
					More data for this Ligand-Target Pair

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