BDBM50031533 CHEMBL3233202
SMILES: Nc1nc2nc(SCc3ccc(cc3)C#N)[nH]c2c(=O)[nH]1
InChI Key: InChIKey=GWZOSZRSFBULCC-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) | BDBM50031533 (CHEMBL3233202) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.11E+4 | 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 | |||||||||||||
Bacterial dihydropteroate synthase (Escherichia coli (strain K12)) | BDBM50031533 (CHEMBL3233202) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.23E+4 | 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 | |||||||||||||
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase (Escherichia coli (strain K12)) | BDBM50031533 (CHEMBL3233202) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.54E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of GST-tagged Escherichia coli HPPK expressed in Escherichia coli using 6-hydroxymethyl-7,8-dihydropterin hydrochloride as substrate after... | Bioorg Med Chem 22: 2157-65 (2014) Article DOI: 10.1016/j.bmc.2014.02.022 BindingDB Entry DOI: 10.7270/Q2ST7SSH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase (Escherichia coli (strain K12)) | BDBM50031533 (CHEMBL3233202) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Binding affinity to GST-tagged Escherichia coli HPPK expressed in Escherichia coli by SPR assay based alternative equilibrium affinity method in pres... | Bioorg Med Chem 22: 2157-65 (2014) Article DOI: 10.1016/j.bmc.2014.02.022 BindingDB Entry DOI: 10.7270/Q2ST7SSH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus) | BDBM50031533 (CHEMBL3233202) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 660 | 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 |