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 = 'BDBM50181548'   

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)	BDBM50181548 (CHEMBL3818498) Show SMILES Nc1nc2[nH]c(SCc3cccc(c3)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H11N5O3S/c14-12-16-9-8(10(19)18-12)15-13(17-9)22-5-6-2-1-3-7(4-6)11(20)21/h1-4H,5H2,(H,20,21)(H4,14,15,16,17,18,19)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.60E+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