BDBM50181531 CHEMBL3818195

SMILES: Cc1cc(C)cc(CSc2nc3c(nc(N)[nH]c3=O)[nH]2)c1

InChI Key: InChIKey=GDHBKBSHWIHVGK-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 = 50181531   

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))	BDBM50181531 (CHEMBL3818195) Show SMILES Cc1cc(C)cc(CSc2nc3c(nc(N)[nH]c3=O)[nH]2)c1 Show InChI InChI=1S/C14H15N5OS/c1-7-3-8(2)5-9(4-7)6-21-14-16-10-11(18-14)17-13(15)19-12(10)20/h3-5H,6H2,1-2H3,(H4,15,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	6.90E+3	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)	BDBM50181531 (CHEMBL3818195) Show SMILES Cc1cc(C)cc(CSc2nc3c(nc(N)[nH]c3=O)[nH]2)c1 Show InChI InChI=1S/C14H15N5OS/c1-7-3-8(2)5-9(4-7)6-21-14-16-10-11(18-14)17-13(15)19-12(10)20/h3-5H,6H2,1-2H3,(H4,15,16,17,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.30E+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