BDBM50031531 CHEMBL3359162
SMILES: Nc1nc2[nH]c(SCc3ccccc3F)nc2c(=O)[nH]1
InChI Key: InChIKey=DBXBVKPIQPXRBY-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus) | BDBM50031531 (CHEMBL3359162) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/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) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus) | BDBM50031531 (CHEMBL3359162) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/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) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus) | BDBM50031531 (CHEMBL3359162) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus HPPK after 20 mins by luciferase reporter gene assay | J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bacterial dihydropteroate synthase (Escherichia coli (strain K12)) | BDBM50031531 (CHEMBL3359162) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/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) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |