BDBM92470 2-Thioxanthine, TX5

SMILES: COCCn1c2nc[nH]c2c(=O)[nH]c1=S

InChI Key: InChIKey=VXTADZREIUKIHH-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 92470   

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
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM92470 (2-Thioxanthine, TX5) Show SMILES COCCn1c2nc[nH]c2c(=O)[nH]c1=S Show InChI InChI=1S/C8H10N4O2S/c1-14-3-2-12-6-5(9-4-10-6)7(13)11-8(12)15/h4H,2-3H2,1H3,(H,9,10)(H,11,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.4	21
AstraZeneca R&D					Assay Description The chlorination activity of MPO was determined by measuring the production of hypocholorous acid.				J Biol Chem 286: 37578-89 (2011) Article DOI: 10.1074/jbc.M111.266981 BindingDB Entry DOI: 10.7270/Q2M32TCV
					More data for this Ligand-Target Pair				3D Structure (crystal)