BDBM111034 US8614253, 3-65::US9241942, 3-65::US9963434, Compound 3-65

SMILES Oc1c(C=O)cc(Br)cc1[N+]([O-])=O

InChI Key InChIKey=YEYPSUQQZNDKDE-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 111034   

TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Human)
Fosun Orinove Pharmatech

US Patent
LigandPNGBDBM111034(US8614253, 3-65 | US9241942, 3-65 | US9963434, Com...)
Affinity DataIC50: 6.60E+3nMAssay 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 Depth
Date in BDB:
4/18/2020
Entry Details
US Patent

TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Human)
Fosun Orinove Pharmatech

US Patent
LigandPNGBDBM111034(US8614253, 3-65 | US9241942, 3-65 | US9963434, Com...)
Affinity DataIC50: 6.60E+3nMpH: 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 Depth
Date in BDB:
6/25/2014
Entry Details
US Patent

TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Human)
Fosun Orinove Pharmatech

US Patent
LigandPNGBDBM111034(US8614253, 3-65 | US9241942, 3-65 | US9963434, Com...)
Affinity DataIC50: 6.60E+3nMpH: 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 Depth
Date in BDB:
11/21/2016
Entry Details
US Patent