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Found 86 hits Enz. Inhib. hit(s) with Target = '5-enolpyruvylshikimate-3-phosphate synthase' AND taxid = 83333   
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))
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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4n/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.


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.


Citation and Details
More data for this
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.


Citation and Details
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

Assay Description
Potency against EPSP synthase


Citation and Details
More data for this
Ligand-Target Pair
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.


Citation and Details
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)

More data for this
Ligand-Target Pair
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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160n/an/an/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))
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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160n/an/a 160n/a 0.120 7.80E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the dissociation constant 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))
BDBM50403592
PNG
(CHEMBL1627011)
Show SMILES OC(=O)C(Oc1cc(OP(O)(O)=O)cc(c1)C([O-])=O)P(O)(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-1
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160n/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.


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


(Escherichia coli (strain K12))
BDBM50403590
PNG
(CHEMBL98868)
Show SMILES OC(=O)C(Oc1cc(cc(c1O)C(O)(C(O)=O)C(O)=O)C(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H11O14P/c13-6-4(12(22,10(18)19)11(20)21)1-3(7(14)15)2-5(6)26-9(8(16)17)27(23,24)25/h1-2,9,13,22H,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,23,24,25)
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520n/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.


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


(Escherichia coli (strain K12))
BDBM50281348
PNG
((N-Phosphonomethyl-hydrazino)-acetic acid | CHEMBL...)
Show SMILES NN(CC(O)=O)CP(O)(O)=O
Show InChI InChI=1S/C3H9N2O5P/c4-5(1-3(6)7)2-11(8,9)10/h1-2,4H2,(H,6,7)(H2,8,9,10)
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610n/an/a 500n/a 0.160 3.20E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the dissociation constant 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))
BDBM50123114
PNG
(2-[1-(4-Diethylamino-phenyl)-meth-(E)-ylidene]-6,7...)
Show SMILES CCN(CC)c1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1
Show InChI InChI=1S/C19H19NO4/c1-3-20(4-2)13-7-5-12(6-8-13)11-16-17(22)14-9-10-15(21)18(23)19(14)24-16/h5-11,21,23H,3-4H2,1-2H3/b16-11+
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650n/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)

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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780n/an/an/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))
BDBM50403586
PNG
(CHEMBL97331)
Show SMILES OC(=O)C(Oc1cc(OC(C(O)=O)P(O)(O)=O)cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H11O13P/c13-8(14)4-1-5(24-7(9(15)16)10(17)18)3-6(2-4)25-12(11(19)20)26(21,22)23/h1-3,7,12H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,21,22,23)
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1.30E+3n/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.


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


(Escherichia coli (strain K12))
BDBM50281343
PNG
((3R,4S,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)/t5-,6-,8+/m1/s1
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1.50E+3n/an/an/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))
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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1.50E+3n/an/an/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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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined against 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))
BDBM50281355
PNG
(CHEMBL96010 | [nitroso(phosphonomethyl)amino]aceti...)
Show SMILES OC(=O)CN(CP(O)(O)=O)N=O
Show InChI InChI=1S/C3H7N2O6P/c6-3(7)1-5(4-8)2-12(9,10)11/h1-2H2,(H,6,7)(H2,9,10,11)
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2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the dissociation constant 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))
BDBM50281353
PNG
((Hydroxy-phosphonomethyl-amino)-acetic acid | CHEM...)
Show SMILES ON(CC(O)=O)CP(O)(O)=O
Show InChI InChI=1S/C3H8NO6P/c5-3(6)1-4(7)2-11(8,9)10/h7H,1-2H2,(H,5,6)(H2,8,9,10)
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2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the dissociation constant 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))
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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2.50E+3n/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.


Citation and Details
More data for this
Ligand-Target Pair
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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2.50E+3n/an/an/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))
BDBM50281344
PNG
(2-[(1R,5R,6S)-3-Carboxy-6-hydroxy-5-(oxalyl-amino)...)
Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OC(C(O)=O)C(O)=O)C(O)=O)NC(=O)C(O)=O
Show InChI InChI=1S/C12H13NO11/c14-6-4(13-8(15)12(22)23)1-3(9(16)17)2-5(6)24-7(10(18)19)11(20)21/h2,4-7,14H,1H2,(H,13,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23)/t4-,5-,6+/m1/s1
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5.20E+3n/an/an/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
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50280239
PNG
((3-Carboxy-6-hydroxy-5-phosphonooxy-cyclohex-3-eny...)
Show SMILES O[C@@H]1[C@H](OP([O-])([O-])=O)C=C(C[C@H]1[NH+](CC([O-])=O)CP([O-])([O-])=O)C([O-])=O
Show InChI InChI=1S/C10H17NO12P2/c12-8(13)3-11(4-24(17,18)19)6-1-5(10(15)16)2-7(9(6)14)23-25(20,21)22/h2,6-7,9,14H,1,3-4H2,(H,12,13)(H,15,16)(H2,17,18,19)(H2,20,21,22)/p-5/t6-,7-,9+/m1/s1
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7.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of the EPSP synthase by the compound expressed as weak apparent value


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


(Escherichia coli (strain K12))
BDBM50280239
PNG
((3-Carboxy-6-hydroxy-5-phosphonooxy-cyclohex-3-eny...)
Show SMILES O[C@@H]1[C@H](OP([O-])([O-])=O)C=C(C[C@H]1[NH+](CC([O-])=O)CP([O-])([O-])=O)C([O-])=O
Show InChI InChI=1S/C10H17NO12P2/c12-8(13)3-11(4-24(17,18)19)6-1-5(10(15)16)2-7(9(6)14)23-25(20,21)22/h2,6-7,9,14H,1,3-4H2,(H,12,13)(H,15,16)(H2,17,18,19)(H2,20,21,22)/p-5/t6-,7-,9+/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of the EPSP synthase PEP-Pi site by the compound expressed as apparent value


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


(Escherichia coli (strain K12))
BDBM50403589
PNG
(CHEMBL1160690)
Show SMILES O[C@H]1CCC(=C[C@H]1OP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C7H11O7P/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h3,5-6,8H,1-2H2,(H,9,10)(H2,11,12,13)/t5-,6+/m0/s1
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1.30E+4n/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.


Citation and Details
More data for this
Ligand-Target Pair
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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7.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the dissociation constant 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))
BDBM50280241
PNG
((3R,4S,5R)-5-amino-4-hydroxy-3-(phosphonatooxy)cyc...)
Show SMILES N[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O
Show InChI InChI=1S/C7H12NO7P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,9H,1,8H2,(H,10,11)(H2,12,13,14)/p-3/t4-,5-,6+/m1/s1
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8.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Potency against 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))
BDBM50280241
PNG
((3R,4S,5R)-5-amino-4-hydroxy-3-(phosphonatooxy)cyc...)
Show SMILES N[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O
Show InChI InChI=1S/C7H12NO7P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,9H,1,8H2,(H,10,11)(H2,12,13,14)/p-3/t4-,5-,6+/m1/s1
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9.00E+4n/an/an/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))
BDBM50280241
PNG
((3R,4S,5R)-5-amino-4-hydroxy-3-(phosphonatooxy)cyc...)
Show SMILES N[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O
Show InChI InChI=1S/C7H12NO7P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,9H,1,8H2,(H,10,11)(H2,12,13,14)/p-3/t4-,5-,6+/m1/s1
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9.00E+4n/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.


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


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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


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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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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))
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


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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
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))
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.


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Ligand-Target Pair
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
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