BDBM50547873 CHEMBL4789787

SMILES CC(C)n1c2nc(N[C@@H]3CNC[C@@H](F)C3)ncc2nc(-c2ccc(NS(=O)(=O)Cc3ccc(C)cc3C#N)c(F)c2)c1=O

InChI Key InChIKey=HLGIVTZHPZFGOM-UHFFFAOYSA-N

Data  1 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 = 50547873   

LigandPNGBDBM50547873(CHEMBL4789787 | US12344603, Compound 166)
Affinity DataIC50: 0.0900nMAssay Description:A His-tagged IRE1α kinase dead construct containing the kinase and RNase domains (KR, AA G547-L977, D688N) was expressed in Sf9 insect cells. The pur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2025
Entry Details
US Patent

TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50547873(CHEMBL4789787 | US12344603, Compound 166)
Affinity DataIC50: 0.0900nMAssay Description:Inhibition of human His-tagged IRE1alpha expressed in Sf9 insect cells preincubated for 1 hr followed by Alexa fluor 647-labeled probe addition and m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed