BDBM50547870 CHEMBL4798215

SMILES CC(C)n1c2nc(N[C@@H]3CNC[C@@H](F)C3)ncc2nc(-c2ccc(NS(=O)(=O)Cc3ccc(cc3)C#N)c(F)c2)c1=O

InChI Key InChIKey=MDSOQZGJTZIQCG-SFTDATJTSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50547870   

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

Curated by ChEMBL
LigandPNGBDBM50547870(CHEMBL4798215)
Affinity DataIC50:  0.100nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed