BDBM50181514 CHEMBL3819351

SMILES: Nc1nc2[nH]c(SCC(O)C(F)(F)F)nc2c(=O)[nH]1

InChI Key: InChIKey=KBEOUUSUUDROML-UHFFFAOYSA-N

Data: 2 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50181514   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	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 KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.60E+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) BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair
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	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) BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair