Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase' and Ligand = 'BDBM50181529'   

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)	BDBM50181529 (CHEMBL3818941) Show SMILES Cc1cccc(CSc2nc3c(nc(N)[nH]c3=O)[nH]2)c1C Show InChI InChI=1S/C14H15N5OS/c1-7-4-3-5-9(8(7)2)6-21-14-16-10-11(18-14)17-13(15)19-12(10)20/h3-5H,6H2,1-2H3,(H4,15,16,17,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	841	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) Article DOI: 10.1021/acs.jmedchem.6b00002 BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair