BDBM50181548 CHEMBL3818498

SMILES: Nc1nc2[nH]c(SCc3cccc(c3)C(O)=O)nc2c(=O)[nH]1

InChI Key: InChIKey=GGUYXKNNACSIGM-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 = 50181548   

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-hydroxymethyldihydropteridine pyrophosphokinase (Escherichia coli (strain K12))	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	2.60E+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
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (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	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) BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair