BDBM50031531 CHEMBL3359162

SMILES c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F

InChI Key InChIKey=DBXBVKPIQPXRBY-UHFFFAOYSA-N

Data  1 IC50  3 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50031531   

Target2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase(Staphylococcus aureus)
Monash University

Curated by ChEMBL
LigandPNGBDBM50031531(CHEMBL3359162)
Affinity DataKd:  4.30E+3nMAssay Description:Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
TargetDihydropteroate synthase(Escherichia coli (strain K12))
Monash University

Curated by ChEMBL
LigandPNGBDBM50031531(CHEMBL3359162)
Affinity DataKd:  8.50E+3nMAssay Description:Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase(Staphylococcus aureus)
Monash University

Curated by ChEMBL
LigandPNGBDBM50031531(CHEMBL3359162)
Affinity DataIC50: 2.49E+4nMAssay Description:Inhibition of Staphylococcus aureus HPPK after 20 mins by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed
Target2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase(Staphylococcus aureus)
Monash University

Curated by ChEMBL
LigandPNGBDBM50031531(CHEMBL3359162)
Affinity DataKd:  450nMAssay Description:Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2016
Entry Details Article
PubMed