Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase' and Ligand = 'BDBM50031531'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase (Staphylococcus aureus)	BDBM50031531 (CHEMBL3359162) Show SMILES Nc1nc2[nH]c(SCc3ccccc3F)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)	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
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase (Staphylococcus aureus)	BDBM50031531 (CHEMBL3359162) Show SMILES Nc1nc2[nH]c(SCc3ccccc3F)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)	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-hydroxymethyldihydropteridine diphosphokinase (Staphylococcus aureus)	BDBM50031531 (CHEMBL3359162) Show SMILES Nc1nc2[nH]c(SCc3ccccc3F)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)	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