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 = 'BDBM50031532'   

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)	BDBM50031532 (CHEMBL3359163) Show SMILES Nc1nc2[nH]c(SCc3ccccc3C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H10F3N5OS/c14-13(15,16)7-4-2-1-3-6(7)5-23-12-18-8-9(20-12)19-11(17)21-10(8)22/h1-4H,5H2,(H4,17,18,19,20,21,22)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.81E+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)	BDBM50031532 (CHEMBL3359163) Show SMILES Nc1nc2[nH]c(SCc3ccccc3C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H10F3N5OS/c14-13(15,16)7-4-2-1-3-6(7)5-23-12-18-8-9(20-12)19-11(17)21-10(8)22/h1-4H,5H2,(H4,17,18,19,20,21,22)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.26E+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