BDBM50182028 CHEMBL3818744

SMILES: COCCSc1nc2c(nc(N)[nH]c2=O)[nH]1

InChI Key: InChIKey=CIYLRAYNZDTKRA-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 = 50182028   

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)	BDBM50182028 (CHEMBL3818744) Show SMILES COCCSc1nc2c(nc(N)[nH]c2=O)[nH]1 Show InChI InChI=1S/C8H11N5O2S/c1-15-2-3-16-8-10-4-5(12-8)11-7(9)13-6(4)14/h2-3H2,1H3,(H4,9,10,11,12,13,14)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.76E+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))	BDBM50182028 (CHEMBL3818744) Show SMILES COCCSc1nc2c(nc(N)[nH]c2=O)[nH]1 Show InChI InChI=1S/C8H11N5O2S/c1-15-2-3-16-8-10-4-5(12-8)11-7(9)13-6(4)14/h2-3H2,1H3,(H4,9,10,11,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5.20E+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