BDBM92467 2-Thioxanthine, TX2

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

InChI Key InChIKey=GMNQNGTVFNOHLD-UHFFFAOYSA-N

Data  4 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 92467   

TargetMyeloperoxidase(Homo sapiens (Human))
Astrazeneca R&D

LigandPNGBDBM92467(2-Thioxanthine, TX2)
Affinity DataIC50:  200nMpH: 7.4 T: 2°CAssay Description:The chlorination activity of MPO was determined by measuring the production of hypocholorous acid. More data for this Ligand-Target Pair
TargetMyeloperoxidase(Homo sapiens (Human))
Astrazeneca R&D

LigandPNGBDBM92467(2-Thioxanthine, TX2)
Affinity DataIC50:  32nMAssay Description:Inhibition of MPO (unknown origin) measured after 15 mins in presence of H2O2 by chemiluminescence assayMore data for this Ligand-Target Pair
TargetMyeloperoxidase(Homo sapiens (Human))
Astrazeneca R&D

LigandPNGBDBM92467(2-Thioxanthine, TX2)
Affinity DataKd:  2.00E+4nMAssay Description:Displacement of benzhydroxamic acid from native state MPO (unknown origin) by 1D NMR reporter assayMore data for this Ligand-Target Pair
TargetThyroid peroxidase(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM92467(2-Thioxanthine, TX2)
Affinity DataIC50:  590nMAssay Description:Inhibition of human recombinant TPO (1 to 839 residues) expressed in baculovirus-infected insect cells measured after 15 mins in presence of H2O2 by ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMyeloperoxidase(Homo sapiens (Human))
Astrazeneca R&D

LigandPNGBDBM92467(2-Thioxanthine, TX2)
Affinity DataIC50:  32nMAssay Description:Inhibition of MPO (unknown origin) measured after 15 mins in presence of H2O2 by chemiluminescence assayMore data for this Ligand-Target Pair