BDBM202540 US9241942, 32-12::US9493435, 56

SMILES CN1CCN(CC1)C(=O)c1ccc(o1)-c1ccc2c(C=O)c(O)ccc2c1

InChI Key InChIKey=XYOMDLUIYINLEM-UHFFFAOYSA-N

Data  2 IC50  1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 202540   

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

US Patent
LigandPNGBDBM202540(US9241942, 32-12 | US9493435, 56)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
LigandPNGBDBM202540(US9241942, 32-12 | US9493435, 56)
Affinity DataIC50: <1.00E+3nMpH: 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Mannkind

US Patent
LigandPNGBDBM202540(US9241942, 32-12 | US9493435, 56)
Affinity DataEC50:  6.00E+4nMAssay Description:Initial cell-based XBP-1 mRNA splicing assays confirmed IRE-1α inhibition with several potent 5-bromo and 6 bromo o-vanillins. HEK293 cells were...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent