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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Dihydrodipicolinate 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
Dihydrodipicolinate synthase


(Escherichia coli (strain K12))
BDBM19472
PNG
(2-oxoacetic acid | Glyoxylate | Oxoethanoic acid |...)
Show SMILES OC(=O)C=O
Show InChI InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
PDB
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PubMed
1.60E+4n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DHDPS


Bioorg Med Chem 16: 9975-83 (2008)

More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase


(Escherichia coli (strain K12))
BDBM50160721
PNG
(2-Oxo-heptanedioic acid | 2-oxoheptanedioic acid |...)
Show SMILES OC(=O)CCCCC(=O)C(O)=O
Show InChI InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)
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PubMed
1.70E+5n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity for Escherichia coli dihydrodipicolinate synthase


Bioorg Med Chem Lett 15: 995-8 (2005)

More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase


(Escherichia coli (strain K12))
BDBM50160721
PNG
(2-Oxo-heptanedioic acid | 2-oxoheptanedioic acid |...)
Show SMILES OC(=O)CCCCC(=O)C(O)=O
Show InChI InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)
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PubMed
1.70E+5n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DHDPS


Bioorg Med Chem 16: 9975-83 (2008)

More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase


(Escherichia coli (strain K12))
BDBM50273974
PNG
(3-fluoro-2-oxopropanoate)
Show SMILES [O-]C(=O)C(=O)CF
Show InChI InChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1
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PubMed
2.20E+5n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DHDPS


Bioorg Med Chem 16: 9975-83 (2008)

More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase


(Escherichia coli (strain K12))
BDBM50273976
PNG
(2-oxopentanoate | 2-oxovalerate | alpha-ketovalera...)
Show SMILES CCCC(=O)C([O-])=O
Show InChI InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)/p-1
PDB
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PubMed
7.00E+5n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DHDPS


Bioorg Med Chem 16: 9975-83 (2008)

More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase


(Escherichia coli (strain K12))
BDBM50273975
PNG
(2-ketobutyrate | 2-oxobutanate | 2-oxobutanoate | ...)
Show SMILES CCC(=O)C([O-])=O
Show InChI InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)/p-1
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PubMed
8.30E+5n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DHDPS


Bioorg Med Chem 16: 9975-83 (2008)

More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase


(Escherichia coli (strain K12))
BDBM50412477
PNG
(CHEMBL456159)
Show SMILES OC(=O)\C=C\C(=O)\C=C\C(O)=O
Show InChI InChI=1S/C7H6O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1-4H,(H,9,10)(H,11,12)/b3-1+,4-2+
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PubMed
1.63E+6n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli recombinant DHDPS overexpressed with DHDPR assessed as residual activity by modified coupled assay


Bioorg Med Chem 16: 9975-83 (2008)

More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase


(Escherichia coli (strain K12))
BDBM50412479
PNG
(CHEMBL456197)
Show SMILES CCOC(=O)\C=C\C(=O)\C=C\C(=O)OCC
Show InChI InChI=1S/C11H14O5/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+
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PubMed
4.95E+6n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli recombinant DHDPS overexpressed with DHDPR assessed as residual activity by modified coupled assay


Bioorg Med Chem 16: 9975-83 (2008)

More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase


(Escherichia coli (strain K12))
BDBM50412478
PNG
(CHEMBL178492)
Show SMILES CCOC(=O)CCC(=O)C=CC(=O)OCC
Show InChI InChI=1S/C11H16O5/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h5,7H,3-4,6,8H2,1-2H3
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PubMed
1.09E+7n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli recombinant DHDPS overexpressed with DHDPR assessed as residual activity by modified coupled assay


Bioorg Med Chem 16: 9975-83 (2008)

More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase


(Escherichia coli (strain K12))
BDBM50412480
PNG
(CHEMBL458071)
Show SMILES OC(=O)CCC(=O)C=CC(O)=O
Show InChI InChI=1S/C7H8O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1,3H,2,4H2,(H,9,10)(H,11,12)
PDB
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PubMed
3.24E+7n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli recombinant DHDPS overexpressed with DHDPR assessed as residual activity by modified coupled assay


Bioorg Med Chem 16: 9975-83 (2008)

More data for this
Ligand-Target Pair