BDBM50567725 CHEMBL4859470

SMILES Nc1cc(Cc2ccn(Cc3cccc(c3)C3CCNCC3)n2)c2nn[nH]c2n1

InChI Key InChIKey=GTNPNVTWXDESRL-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50567725   

TargetMyeloperoxidase(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50567725(CHEMBL4859470)
Affinity DataIC50: 100nMAssay Description:Inhibition of MPO (unknown origin) chlorination activity incubated for 10 mins followed by NaCl addition by aminophenyl fluorescein assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetThyroid peroxidase(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50567725(CHEMBL4859470)
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50567725(CHEMBL4859470)
Affinity DataIC50: 3.30E+3nMAssay Description:Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetMyeloperoxidase(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50567725(CHEMBL4859470)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of PMA-induced MPO in human Neutrophil incubated for 3 mins by luminometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed