BDBM50547871 CHEMBL4757194

SMILES COCCN(C)[C@H]1CC[C@@H](CC1)Nc1ncc2cc(-c3ccc(NS(=O)(=O)Cc4ccc(F)cc4)c(F)c3)c(=O)n(C(C)C)c2n1

InChI Key InChIKey=JBQNRMBKELRISE-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 = 50547871   

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

Curated by ChEMBL
LigandPNGBDBM50547871(CHEMBL4757194 | US12344603, Compound 123)
Affinity DataIC50: 0.0500nMAssay 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
LigandPNGBDBM50547871(CHEMBL4757194 | US12344603, Compound 123)
Affinity DataIC50: 0.0500nMAssay 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