BDBM50181541 CHEMBL3817986

SMILES: Nc1nc2[nH]c(SCc3ccc(cc3)C(F)(F)F)nc2c(=O)[nH]1

InChI Key: InChIKey=CTECUJMTKNYMNG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50181541   

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)	BDBM50181541 (CHEMBL3817986) Show SMILES Nc1nc2[nH]c(SCc3ccc(cc3)C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H10F3N5OS/c14-13(15,16)7-3-1-6(2-4-7)5-23-12-18-8-9(20-12)19-11(17)21-10(8)22/h1-4H,5H2,(H4,17,18,19,20,21,22)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.93E+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