BDBM160445 US9040714, 167::US9693992, 167

SMILES COc1cc2c(C)c(CC(=O)N3CCOCC3)c(=O)oc2c(C=O)c1O

InChI Key InChIKey=IFDGMRMUJYGWQQ-UHFFFAOYSA-N

Data  3 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 160445   

TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Mannkind

US Patent
LigandPNGBDBM160445(US9040714, 167 | US9693992, 167)
Affinity DataIC50: <100nMpH: 7.5Assay Description:A fusion protein comprising glutathione S transferase (GST) and human IRE-1alpha (GST-IRE-1alpha) obtained from a 500 ml baculovirus-infected insect ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Mannkind

US Patent
LigandPNGBDBM160445(US9040714, 167 | US9693992, 167)
Affinity DataEC50: <1.00E+4nMAssay Description:Inhibition of IRE1 in human SUM159 cells incubated for 10 days by crystal violet staining based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Mus musculus)
Genentech

Curated by ChEMBL
LigandPNGBDBM160445(US9040714, 167 | US9693992, 167)
Affinity DataIC50: <100nMAssay Description:Inhibition of mouse IRE1 assessed as reduction in XBP1 splicing using 5'-Alexa Fluor 647-CAUGUCCGCAGCGCAUG-BHQ1-3' as substrate preincubated for 30 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Mannkind

US Patent
LigandPNGBDBM160445(US9040714, 167 | US9693992, 167)
Affinity DataIC50: <100nM EC50: <1.00E+4nMpH: 7.5 T: 2°CAssay Description:A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) obtained from a 500 ml baculovirus-infected ins...More data for this Ligand-Target Pair
In DepthDetails US Patent