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2 similar compounds to monomer 50031532

Wt: 273.3
BDBM50031529
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Wt: 298.3
BDBM50031533

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50031529,50031533   
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)
BDBM50031529
PNG
(CHEMBL3359161)
Show SMILES Nc1nc2[nH]c(SCc3ccccc3)nc2c(=O)[nH]1
Show InChI InChI=1S/C12H11N5OS/c13-11-15-9-8(10(18)17-11)14-12(16-9)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17,18)
PDB

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.35E+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)
BDBM50031533
PNG
(CHEMBL3233202)
Show SMILES Nc1nc2nc(SCc3ccc(cc3)C#N)[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20)
PDB

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 1.11E+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)
BDBM50031533
PNG
(CHEMBL3233202)
Show SMILES Nc1nc2nc(SCc3ccc(cc3)C#N)[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20)
PDB

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 660n/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
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031533
PNG
(CHEMBL3233202)
Show SMILES Nc1nc2nc(SCc3ccc(cc3)C#N)[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.23E+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
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031529
PNG
(CHEMBL3359161)
Show SMILES Nc1nc2[nH]c(SCc3ccccc3)nc2c(=O)[nH]1
Show InChI InChI=1S/C12H11N5OS/c13-11-15-9-8(10(18)17-11)14-12(16-9)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17,18)
PDB

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GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.79E+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
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031529
PNG
(CHEMBL3359161)
Show SMILES Nc1nc2[nH]c(SCc3ccccc3)nc2c(=O)[nH]1
Show InChI InChI=1S/C12H11N5OS/c13-11-15-9-8(10(18)17-11)14-12(16-9)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 4.39E+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