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 = 'BDBM50181530'   

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)	BDBM50181530 (CHEMBL3818653) Show SMILES Nc1nc2[nH]c(SCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C14H9F6N5OS/c15-13(16,17)6-1-5(2-7(3-6)14(18,19)20)4-27-12-22-8-9(24-12)23-11(21)25-10(8)26/h1-3H,4H2,(H4,21,22,23,24,25,26)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+3	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