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6 similar compounds to monomer 50031526

Wt: 301.3
BDBM50031523
Wt: 331.3
BDBM50031522
Wt: 315.3
BDBM50031524
Wt: 331.3
BDBM50031525
Wt: 317.3
BDBM50031527
Wt: 239.2
BDBM50031528

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50031523,50031522,50031524,50031525,50031527,50031528   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031522
PNG
(CHEMBL3233207)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C14H13N5O3S/c1-22-8-4-2-7(3-5-8)9(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)
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n/an/an/a 7.66E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031528
PNG
(CHEMBL3359160)
Show SMILES CC(=O)CSc1nc2c(nc(N)[nH]c2=O)[nH]1
Show InChI InChI=1S/C8H9N5O2S/c1-3(14)2-16-8-10-4-5(12-8)11-7(9)13-6(4)15/h2H2,1H3,(H4,9,10,11,12,13,15)
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n/an/an/a 1.85E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031524
PNG
(CHEMBL3233212)
Show SMILES CC(Sc1nc2nc(N)[nH]c(=O)c2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1/C14H13N5O2S/c1-7(10(20)8-5-3-2-4-6-8)22-14-16-9-11(18-14)17-13(15)19-12(9)21/h2-7H,1H3,(H4,15,16,17,18,19,21)
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n/an/an/a 7.50E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031525
PNG
(CHEMBL3233211)
Show SMILES COc1ccccc1C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C14H13N5O3S/c1-22-9-5-3-2-4-7(9)8(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)
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n/an/an/a 2.17E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031527
PNG
(CHEMBL3359159)
Show SMILES COc1ccc(CCSc2nc3c(nc(N)[nH]c3=O)[nH]2)cc1
Show InChI InChI=1S/C14H15N5O2S/c1-21-9-4-2-8(3-5-9)6-7-22-14-16-10-11(18-14)17-13(15)19-12(10)20/h2-5H,6-7H2,1H3,(H4,15,16,17,18,19,20)
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n/an/an/a 7.35E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031528
PNG
(CHEMBL3359160)
Show SMILES CC(=O)CSc1nc2c(nc(N)[nH]c2=O)[nH]1
Show InChI InChI=1S/C8H9N5O2S/c1-3(14)2-16-8-10-4-5(12-8)11-7(9)13-6(4)15/h2H2,1H3,(H4,9,10,11,12,13,15)
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n/an/an/a 4.27E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031522
PNG
(CHEMBL3233207)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C14H13N5O3S/c1-22-8-4-2-7(3-5-8)9(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)
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n/an/an/a 3.90E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031523
PNG
(CHEMBL3233201)
Show SMILES Nc1nc2nc(SCC(=O)c3ccccc3)[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20)
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n/an/an/a 3.90E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031524
PNG
(CHEMBL3233212)
Show SMILES CC(Sc1nc2nc(N)[nH]c(=O)c2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1/C14H13N5O2S/c1-7(10(20)8-5-3-2-4-6-8)22-14-16-9-11(18-14)17-13(15)19-12(9)21/h2-7H,1H3,(H4,15,16,17,18,19,21)
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n/an/an/a 8.20E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031525
PNG
(CHEMBL3233211)
Show SMILES COc1ccccc1C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C14H13N5O3S/c1-22-9-5-3-2-4-7(9)8(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)
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n/an/an/a 1.60E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031527
PNG
(CHEMBL3359159)
Show SMILES COc1ccc(CCSc2nc3c(nc(N)[nH]c3=O)[nH]2)cc1
Show InChI InChI=1S/C14H15N5O2S/c1-21-9-4-2-8(3-5-9)6-7-22-14-16-10-11(18-14)17-13(15)19-12(10)20/h2-5H,6-7H2,1H3,(H4,15,16,17,18,19,20)
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PubMed
n/an/an/a 1.42E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031528
PNG
(CHEMBL3359160)
Show SMILES CC(=O)CSc1nc2c(nc(N)[nH]c2=O)[nH]1
Show InChI InChI=1S/C8H9N5O2S/c1-3(14)2-16-8-10-4-5(12-8)11-7(9)13-6(4)15/h2H2,1H3,(H4,9,10,11,12,13,15)
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PubMed
n/an/an/a 7.80E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031522
PNG
(CHEMBL3233207)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C14H13N5O3S/c1-22-8-4-2-7(3-5-8)9(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)
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n/an/an/a 1.09E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031523
PNG
(CHEMBL3233201)
Show SMILES Nc1nc2nc(SCC(=O)c3ccccc3)[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20)
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n/an/an/a 1.40E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031524
PNG
(CHEMBL3233212)
Show SMILES CC(Sc1nc2nc(N)[nH]c(=O)c2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1/C14H13N5O2S/c1-7(10(20)8-5-3-2-4-6-8)22-14-16-9-11(18-14)17-13(15)19-12(9)21/h2-7H,1H3,(H4,15,16,17,18,19,21)
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n/an/an/a 1.90E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031525
PNG
(CHEMBL3233211)
Show SMILES COc1ccccc1C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C14H13N5O3S/c1-22-9-5-3-2-4-7(9)8(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)
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n/an/an/a 2.80E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031527
PNG
(CHEMBL3359159)
Show SMILES COc1ccc(CCSc2nc3c(nc(N)[nH]c3=O)[nH]2)cc1
Show InChI InChI=1S/C14H15N5O2S/c1-21-9-4-2-8(3-5-9)6-7-22-14-16-10-11(18-14)17-13(15)19-12(10)20/h2-5H,6-7H2,1H3,(H4,15,16,17,18,19,20)
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n/an/an/a 7.80E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031523
PNG
(CHEMBL3233201)
Show SMILES Nc1nc2nc(SCC(=O)c3ccccc3)[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20)
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n/an/an/a 1.03E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis


J Med Chem 57: 9612-26 (2014)

More data for this
Ligand-Target Pair