BDBM50547869 CHEMBL4790916

SMILES COc1cccc(CS(=O)(=O)Nc2c(F)cc(c(F)c2F)-c2cc3cnc(N[C@@H]4CNC[C@@H](F)C4)nc3n(C(C)C)c2=O)c1

InChI Key InChIKey=IQSDAEFMBLKJHB-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 1 hit for monomerid = 50547869   

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

Curated by ChEMBL
LigandPNGBDBM50547869(CHEMBL4790916)
Affinity DataIC50: 0.110nMAssay 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