BDBM111000 US8614253, 3-31::US9241942, 3-31::US9963434, Compound 3-31

SMILES Oc1c(Br)cc(Br)cc1C=O

InChI Key InChIKey=JHZOXYGFQMROFJ-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 = 111000   

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

US Patent
LigandPNGBDBM111000(US8614253, 3-31 | US9241942, 3-31 | US9963434, Com...)
Affinity DataIC50:  720nMpH: 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
LigandPNGBDBM111000(US8614253, 3-31 | US9241942, 3-31 | US9963434, Com...)
Affinity DataIC50:  720nMAssay 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
LigandPNGBDBM111000(US8614253, 3-31 | US9241942, 3-31 | US9963434, Com...)
Affinity DataIC50: >2.00E+4nMAssay 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))
Mannkind

US Patent
LigandPNGBDBM111000(US8614253, 3-31 | US9241942, 3-31 | US9963434, Com...)
Affinity DataIC50:  720nMpH: 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