BDBM92467 2-Thioxanthine, TX2

SMILES: Fc1ccc(Cn2c3nc[nH]c3c(=O)[nH]c2=S)cc1

InChI Key: InChIKey=GMNQNGTVFNOHLD-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 = 92467   

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))	BDBM92467 (2-Thioxanthine, TX2) Show SMILES Fc1ccc(Cn2c3nc[nH]c3c(=O)[nH]c2=S)cc1 Show InChI InChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)5-17-10-9(14-6-15-10)11(18)16-12(17)19/h1-4,6H,5H2,(H,14,15)(H,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	200	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)