BDBM50554053 CHEMBL4776151

SMILES Nc1cc([C@H](CCN[C@@H]2CC[C@H](OC2)c2ccccc2)c2ccccc2)c2nn[nH]c2n1

InChI Key InChIKey=WBQKPMCSWFRWPE-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 50554053   

TargetMyeloperoxidase(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50554053(CHEMBL4776151)
Affinity DataIC50: 28nMAssay Description:Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetThyroid peroxidase(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50554053(CHEMBL4776151)
Affinity DataIC50: 6.30E+4nMAssay Description:Inhibition of TPO (unknown origin) using 3-iodo tyrosine as substrate incubated for 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed