BDBM50013814 CHEMBL3265270::US10323013, Compound 30

SMILES CN1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21

InChI Key InChIKey=AIQJUHLNDAWJNC-UHFFFAOYSA-N

Data  2 IC50  1 Kd

  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 3 hits for monomerid = 50013814   

TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50013814(CHEMBL3265270 | US10323013, Compound 30)
Affinity DataIC50:  200nMAssay Description:Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50013814(CHEMBL3265270 | US10323013, Compound 30)
Affinity DataKd:  138nMAssay Description:Binding affinity to human polyhisitdine-tagged/puritin-fused IRE1 by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center And Research Institute

Curated by ChEMBL
LigandPNGBDBM50013814(CHEMBL3265270 | US10323013, Compound 30)
Affinity DataIC50:  200nMAssay Description:All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...More data for this Ligand-Target Pair
In DepthDetails US Patent