BDBM111376 US8614253, 32-12::US8614253, 33-3::US9241942, 33-3

SMILES CN1CCN(CC1)C(=O)c1ccc(s1)-c1ccc2c(C=O)c(O)ccc2c1

InChI Key InChIKey=IVQVBMWPWPTSNO-UHFFFAOYSA-N

Data  4 IC50

  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 = 111376   

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

US Patent
LigandPNGBDBM111376(US8614253, 32-12 | US8614253, 33-3 | US9241942, 33...)
Affinity DataIC50:  5nMpH: 7.5 T: 2°CAssay Description:IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Mannkind

US Patent
LigandPNGBDBM111376(US8614253, 32-12 | US8614253, 33-3 | US9241942, 33...)
Affinity DataIC50:  5nMAssay Description:Inhibition of IRE1 in human RPMI 8226 cells assessed as reduction in XBP1 splicing incubated for 3 hrs by RT-PCR methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Mannkind

US Patent
LigandPNGBDBM111376(US8614253, 32-12 | US8614253, 33-3 | US9241942, 33...)
Affinity DataIC50:  5nMpH: 7.5Assay Description:A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Mannkind

US Patent
LigandPNGBDBM111376(US8614253, 32-12 | US8614253, 33-3 | US9241942, 33...)
Affinity DataIC50:  5nMpH: 7.5 T: 2°CAssay Description:IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...More data for this Ligand-Target Pair
In DepthDetails US Patent