Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase' and Ligand = 'BDBM50031524'   

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)	BDBM50031524 (CHEMBL3233212) Show SMILES CC(Sc1nc2nc(N)[nH]c(=O)c2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C14H13N5O2S/c1-7(10(20)8-5-3-2-4-6-8)22-14-16-9-11(18-14)17-13(15)19-12(9)21/h2-7H,1H3,(H4,15,16,17,18,19,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.90E+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 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)	BDBM50031524 (CHEMBL3233212) Show SMILES CC(Sc1nc2nc(N)[nH]c(=O)c2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C14H13N5O2S/c1-7(10(20)8-5-3-2-4-6-8)22-14-16-9-11(18-14)17-13(15)19-12(9)21/h2-7H,1H3,(H4,15,16,17,18,19,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.50E+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