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Found 86 hits Enz. Inhib. hit(s) with Target = '5-enolpyruvylshikimate-3-phosphate synthase'   
Target
(Institution)
LigandTarget
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
pHTemp
°C
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281351
PNG
((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)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281349
PNG
(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)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283574
PNG
(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
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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281347
PNG
(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)
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n/an/a>8.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281356
PNG
(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)
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n/an/a>8.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281350
PNG
((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)
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TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283579
PNG
(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
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n/an/a 8.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283578
PNG
((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
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n/an/a 1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281993
PNG
(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
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281354
PNG
((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)
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n/an/a 1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281990
PNG
(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
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n/an/a 1.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283582
PNG
(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)
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n/an/a 2.10E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281352
PNG
((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)
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n/an/a 7.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283575
PNG
(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
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n/an/a 1.40E+6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283583
PNG
(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
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n/an/a 2.00E+6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283580
PNG
(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
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n/an/a 3.00E+6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283584
PNG
(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
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TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281995
PNG
(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
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n/an/a 7.50E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283581
PNG
(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
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n/an/a 7.90E+6n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283581
PNG
(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
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TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283572
PNG
(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
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n/an/a 1.00E+7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281346
PNG
((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
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n/an/a>1.00E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP).


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283585
PNG
(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
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n/an/a 1.00E+7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283586
PNG
(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
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TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283577
PNG
(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
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TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50288342
PNG
(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)
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TBA

Assay Description
Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281987
PNG
(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)
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n/an/a 1.50E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50288338
PNG
(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)
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TBA

Assay Description
Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50288341
PNG
(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)
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TBA

Assay Description
Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50288337
PNG
(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)
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TBA

Assay Description
Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50288340
PNG
(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)
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TBA

Assay Description
Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50288343
PNG
(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)
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TBA

Assay Description
Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50283573
PNG
(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
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TBA

Assay Description
Inhibition of Escherichia coli EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281345
PNG
((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
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TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP).


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281989
PNG
(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
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n/an/a>9.00E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281345
PNG
((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
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TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281986
PNG
(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+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281998
PNG
((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
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n/an/a>9.00E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281997
PNG
(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-
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n/an/a>9.00E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281994
PNG
(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
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TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281992
PNG
(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
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n/an/a>9.00E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281991
PNG
(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)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281342
PNG
((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
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TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP).


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281996
PNG
(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)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50403588
PNG
(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
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TBA

Assay Description
Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.


Citation and Details
More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50403587
PNG
(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
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.


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Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50403591
PNG
(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)
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14.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.


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More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50280240
PNG
((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
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15n/an/an/an/an/an/an/an/a


TBA

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Potency against EPSP synthase


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3D
3D Structure (crystal)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50403585
PNG
(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
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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.


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More data for this
Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50123088
PNG
(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+
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100n/an/an/an/an/an/an/an/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)

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Ligand-Target Pair
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