BDBM50547973 CHEMBL4787548

SMILES Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3cn[nH]c3)cc12

InChI Key InChIKey=BXGNDUJPMMMICQ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50547973   

LigandChemical structure of BindingDB Monomer ID 50547973BDBM50547973(CHEMBL4787548)
Affinity DataIC50: 76nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50547973BDBM50547973(CHEMBL4787548)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed