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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50029089   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase versus phosphoenolpyruvate


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
3D Structure (crystal)
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


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
3D Structure (crystal)
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


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))
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


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))
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


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))
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


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))
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


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
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 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
3D Structure (crystal)
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


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))
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


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
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


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))
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 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))
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


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))
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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n/an/an/a 500n/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


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
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/an/a 160n/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


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
3D Structure (crystal)
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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n/an/an/an/an/a 0.160n/an/an/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))
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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n/an/an/an/an/an/a 0n/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the rate of association 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))
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/an/an/an/an/a 0.00000100n/an/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
3D
3D Structure (crystal)