Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase' and Ligand = 'BDBM50181514'   

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 pyrophosphokinase (Escherichia coli (strain K12))	BDBM50181514 (CHEMBL3819351) Show SMILES Nc1nc2[nH]c(SCC(O)C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C8H8F3N5O2S/c9-8(10,11)2(17)1-19-7-13-3-4(15-7)14-6(12)16-5(3)18/h2,17H,1H2,(H4,12,13,14,15,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) 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
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