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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50048556   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221037
PNG
(CHEMBL87262)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Br)cc1
Show InChI InChI=1S/C11H9BrN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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PubMed
n/an/a 1.21E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221030
PNG
(CHEMBL313078)
Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3S/c15-11-10-9(5-6-18-10)12-13(11)7-1-3-8(4-2-7)14(16)17/h1-4,15H,5-6H2
PDB
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PubMed
n/an/a 2.12E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221032
PNG
(CHEMBL86526)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3S/c15-11-10-9(4-5-18-10)12-13(11)7-2-1-3-8(6-7)14(16)17/h1-3,6,15H,4-5H2
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n/an/a 2.35E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221038
PNG
(CHEMBL87521)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H8Cl2N2OS/c12-7-2-1-6(5-8(7)13)15-11(16)10-9(14-15)3-4-17-10/h1-2,5,16H,3-4H2
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n/an/a 2.43E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221018
PNG
(CHEMBL85772)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H9ClN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
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n/an/a 2.80E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221037
PNG
(CHEMBL87262)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Br)cc1
Show InChI InChI=1S/C11H9BrN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
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n/an/a 3.02E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221022
PNG
(CHEMBL86525)
Show SMILES Oc1c2SCCc2nn1-c1cccc(Cl)c1
Show InChI InChI=1S/C11H9ClN2OS/c12-7-2-1-3-8(6-7)14-11(15)10-9(13-14)4-5-16-10/h1-3,6,15H,4-5H2
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n/an/a 3.28E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221025
PNG
(CHEMBL83021)
Show SMILES Oc1c2SC(Cc2nn1-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C17H13ClN2OS/c18-12-6-8-13(9-7-12)20-17(21)16-14(19-20)10-15(22-16)11-4-2-1-3-5-11/h1-9,15,21H,10H2
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n/an/a 3.34E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221032
PNG
(CHEMBL86526)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3S/c15-11-10-9(4-5-18-10)12-13(11)7-2-1-3-8(6-7)14(16)17/h1-3,6,15H,4-5H2
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n/an/a 3.45E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221030
PNG
(CHEMBL313078)
Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3S/c15-11-10-9(5-6-18-10)12-13(11)7-1-3-8(4-2-7)14(16)17/h1-4,15H,5-6H2
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n/an/a 3.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221037
PNG
(CHEMBL87262)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Br)cc1
Show InChI InChI=1S/C11H9BrN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
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n/an/a 3.70E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221038
PNG
(CHEMBL87521)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H8Cl2N2OS/c12-7-2-1-6(5-8(7)13)15-11(16)10-9(14-15)3-4-17-10/h1-2,5,16H,3-4H2
PDB
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n/an/a 3.83E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221020
PNG
(CHEMBL87126)
Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-1-3-8(4-2-7)17-11(18)10-9(16-17)5-6-19-10/h1-4,18H,5-6H2
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n/an/a 3.84E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221018
PNG
(CHEMBL85772)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H9ClN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
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n/an/a 3.95E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221020
PNG
(CHEMBL87126)
Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-1-3-8(4-2-7)17-11(18)10-9(16-17)5-6-19-10/h1-4,18H,5-6H2
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n/an/a 4.19E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221027
PNG
(CHEMBL327438)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C#N
Show InChI InChI=1S/C12H9N3OS/c13-7-8-2-1-3-9(6-8)15-12(16)11-10(14-15)4-5-17-11/h1-3,6,16H,4-5H2
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n/an/a 4.52E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221018
PNG
(CHEMBL85772)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H9ClN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
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n/an/a 4.74E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221038
PNG
(CHEMBL87521)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H8Cl2N2OS/c12-7-2-1-6(5-8(7)13)15-11(16)10-9(14-15)3-4-17-10/h1-2,5,16H,3-4H2
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n/an/a 4.87E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221023
PNG
(CHEMBL84684)
Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)C#N
Show InChI InChI=1S/C12H9N3OS/c13-7-8-1-3-9(4-2-8)15-12(16)11-10(14-15)5-6-17-11/h1-4,16H,5-6H2
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n/an/a 4.93E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221033
PNG
(CHEMBL420601)
Show SMILES NC(=O)c1cccc(c1)-n1nc2CCSc2c1O
Show InChI InChI=1S/C12H11N3O2S/c13-11(16)7-2-1-3-8(6-7)15-12(17)10-9(14-15)4-5-18-10/h1-3,6,17H,4-5H2,(H2,13,16)
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n/an/a 4.97E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221035
PNG
(CHEMBL86990)
Show SMILES Oc1c2SCCc2nn1-c1ccc(F)cc1
Show InChI InChI=1S/C11H9FN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
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n/an/a 5.07E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221027
PNG
(CHEMBL327438)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C#N
Show InChI InChI=1S/C12H9N3OS/c13-7-8-2-1-3-9(6-8)15-12(16)11-10(14-15)4-5-17-11/h1-3,6,16H,4-5H2
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n/an/a 5.34E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221027
PNG
(CHEMBL327438)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C#N
Show InChI InChI=1S/C12H9N3OS/c13-7-8-2-1-3-9(6-8)15-12(16)11-10(14-15)4-5-17-11/h1-3,6,16H,4-5H2
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n/an/a 5.75E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221022
PNG
(CHEMBL86525)
Show SMILES Oc1c2SCCc2nn1-c1cccc(Cl)c1
Show InChI InChI=1S/C11H9ClN2OS/c12-7-2-1-3-8(6-7)14-11(15)10-9(13-14)4-5-16-10/h1-3,6,15H,4-5H2
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n/an/a 6.33E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221019
PNG
(CHEMBL87584)
Show SMILES CC1Cc2nn(c(O)c2S1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H11ClN2OS/c1-7-6-10-11(17-7)12(16)15(14-10)9-4-2-8(13)3-5-9/h2-5,7,16H,6H2,1H3
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n/an/a 6.37E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221034
PNG
(CHEMBL87428)
Show SMILES Oc1c2[S+]([O-])CCc2nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H8Cl2N2O2S/c12-7-2-1-6(5-8(7)13)15-11(16)10-9(14-15)3-4-18(10)17/h1-2,5,16H,3-4H2
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n/an/a 6.59E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221036
PNG
(CHEMBL315316)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-2-1-3-8(6-7)17-11(18)10-9(16-17)4-5-19-10/h1-3,6,18H,4-5H2
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n/an/a 6.63E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221026
PNG
(CHEMBL89482)
Show SMILES Oc1c2SCCc2nn1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H8F6N2OS/c14-12(15,16)6-3-7(13(17,18)19)5-8(4-6)21-11(22)10-9(20-21)1-2-23-10/h3-5,22H,1-2H2
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n/an/a>7.05E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221026
PNG
(CHEMBL89482)
Show SMILES Oc1c2SCCc2nn1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H8F6N2OS/c14-12(15,16)6-3-7(13(17,18)19)5-8(4-6)21-11(22)10-9(20-21)1-2-23-10/h3-5,22H,1-2H2
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n/an/a>7.05E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221026
PNG
(CHEMBL89482)
Show SMILES Oc1c2SCCc2nn1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H8F6N2OS/c14-12(15,16)6-3-7(13(17,18)19)5-8(4-6)21-11(22)10-9(20-21)1-2-23-10/h3-5,22H,1-2H2
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n/an/a>7.05E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221030
PNG
(CHEMBL313078)
Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3S/c15-11-10-9(5-6-18-10)12-13(11)7-1-3-8(4-2-7)14(16)17/h1-4,15H,5-6H2
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n/an/a 7.21E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221036
PNG
(CHEMBL315316)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-2-1-3-8(6-7)17-11(18)10-9(16-17)4-5-19-10/h1-3,6,18H,4-5H2
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n/an/a 7.33E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221025
PNG
(CHEMBL83021)
Show SMILES Oc1c2SC(Cc2nn1-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C17H13ClN2OS/c18-12-6-8-13(9-7-12)20-17(21)16-14(19-20)10-15(22-16)11-4-2-1-3-5-11/h1-9,15,21H,10H2
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n/an/a 7.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221025
PNG
(CHEMBL83021)
Show SMILES Oc1c2SC(Cc2nn1-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C17H13ClN2OS/c18-12-6-8-13(9-7-12)20-17(21)16-14(19-20)10-15(22-16)11-4-2-1-3-5-11/h1-9,15,21H,10H2
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n/an/a>7.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221040
PNG
(CHEMBL83020)
Show SMILES Oc1c2CSCc2nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H8Cl2N2OS/c12-8-2-1-6(3-9(8)13)15-11(16)7-4-17-5-10(7)14-15/h1-3,16H,4-5H2
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n/an/a>8.70E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221036
PNG
(CHEMBL315316)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-2-1-3-8(6-7)17-11(18)10-9(16-17)4-5-19-10/h1-3,6,18H,4-5H2
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n/an/a>8.73E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221032
PNG
(CHEMBL86526)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3S/c15-11-10-9(4-5-18-10)12-13(11)7-2-1-3-8(6-7)14(16)17/h1-3,6,15H,4-5H2
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n/an/a 8.73E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221028
PNG
(CHEMBL87044)
Show SMILES Oc1c2SCCc2nn1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-3-1-2-4-9(7)17-11(18)10-8(16-17)5-6-19-10/h1-4,18H,5-6H2
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n/an/a>8.73E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221028
PNG
(CHEMBL87044)
Show SMILES Oc1c2SCCc2nn1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-3-1-2-4-9(7)17-11(18)10-8(16-17)5-6-19-10/h1-4,18H,5-6H2
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n/an/a>8.73E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221028
PNG
(CHEMBL87044)
Show SMILES Oc1c2SCCc2nn1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-3-1-2-4-9(7)17-11(18)10-8(16-17)5-6-19-10/h1-4,18H,5-6H2
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n/an/a>8.73E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221020
PNG
(CHEMBL87126)
Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-1-3-8(4-2-7)17-11(18)10-9(16-17)5-6-19-10/h1-4,18H,5-6H2
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n/an/a>8.73E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221021
PNG
(CHEMBL86981)
Show SMILES Oc1c2CCCCc2nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H12Cl2N2O/c14-10-6-5-8(7-11(10)15)17-13(18)9-3-1-2-4-12(9)16-17/h5-7,18H,1-4H2
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n/an/a>8.82E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221039
PNG
(CHEMBL88099)
Show SMILES Oc1c2CSCCc2nn1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H11N3O3S/c16-12-10-7-19-6-5-11(10)13-14(12)8-1-3-9(4-2-8)15(17)18/h1-4,16H,5-7H2
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n/an/a>9.01E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221024
PNG
(CHEMBL86851)
Show SMILES CC(C)(C)c1ccc(cc1)-n1nc2CCSc2c1O
Show InChI InChI=1S/C15H18N2OS/c1-15(2,3)10-4-6-11(7-5-10)17-14(18)13-12(16-17)8-9-19-13/h4-7,18H,8-9H2,1-3H3
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n/an/a>9.11E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221024
PNG
(CHEMBL86851)
Show SMILES CC(C)(C)c1ccc(cc1)-n1nc2CCSc2c1O
Show InChI InChI=1S/C15H18N2OS/c1-15(2,3)10-4-6-11(7-5-10)17-14(18)13-12(16-17)8-9-19-13/h4-7,18H,8-9H2,1-3H3
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n/an/a>9.11E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221024
PNG
(CHEMBL86851)
Show SMILES CC(C)(C)c1ccc(cc1)-n1nc2CCSc2c1O
Show InChI InChI=1S/C15H18N2OS/c1-15(2,3)10-4-6-11(7-5-10)17-14(18)13-12(16-17)8-9-19-13/h4-7,18H,8-9H2,1-3H3
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n/an/a>9.11E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221019
PNG
(CHEMBL87584)
Show SMILES CC1Cc2nn(c(O)c2S1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H11ClN2OS/c1-7-6-10-11(17-7)12(16)15(14-10)9-4-2-8(13)3-5-9/h2-5,7,16H,6H2,1H3
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n/an/a>9.37E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221019
PNG
(CHEMBL87584)
Show SMILES CC1Cc2nn(c(O)c2S1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H11ClN2OS/c1-7-6-10-11(17-7)12(16)15(14-10)9-4-2-8(13)3-5-9/h2-5,7,16H,6H2,1H3
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n/an/a>9.37E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylenolpyruvoylglucosamine reductase


(Staphylococcus aureus (Firmicutes))
BDBM50221033
PNG
(CHEMBL420601)
Show SMILES NC(=O)c1cccc(c1)-n1nc2CCSc2c1O
Show InChI InChI=1S/C12H11N3O2S/c13-11(16)7-2-1-3-8(6-7)15-12(17)10-9(14-15)4-5-18-10/h1-3,6,17H,4-5H2,(H2,13,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PubMed
n/an/a>9.56E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Staphylococcus aureus (Firmicutes))
BDBM50221033
PNG
(CHEMBL420601)
Show SMILES NC(=O)c1cccc(c1)-n1nc2CCSc2c1O
Show InChI InChI=1S/C12H11N3O2S/c13-11(16)7-2-1-3-8(6-7)15-12(17)10-9(14-15)4-5-18-10/h1-3,6,17H,4-5H2,(H2,13,16)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>9.56E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
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