BDBM50595661 CHEMBL5197968

SMILES NC(c1ccccc1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S

InChI Key InChIKey=JABFRGYJMKKWKF-UHFFFAOYSA-N

Data  3 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50595661   

TargetMyeloperoxidase(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50595661(CHEMBL5197968)
Affinity DataIC50:  5nMAssay Description:Inhibition of MPO (unknown origin) measured after 15 mins in presence of H2O2 by chemiluminescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMyeloperoxidase(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50595661(CHEMBL5197968)
Affinity DataKd:  631nMAssay Description:Displacement of benzhydroxamic acid from native state MPO (unknown origin) by 1D NMR reporter assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetThyroid peroxidase(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50595661(CHEMBL5197968)
Affinity DataIC50:  1.39E+3nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetMyeloperoxidase(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50595661(CHEMBL5197968)
Affinity DataIC50:  5nMAssay Description:Inhibition of MPO (unknown origin) measured after 15 mins in presence of H2O2 by chemiluminescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB