BDBM111372 US8614253, 32-8::US9241942, 32-8

SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(cc1)C(=O)N1CCOCC1

InChI Key InChIKey=NBHZRTPTDVODBZ-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 111372   

LigandPNGBDBM111372(US8614253, 32-8 | US9241942, 32-8)
Affinity DataIC50: 67nMpH: 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
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LigandPNGBDBM111372(US8614253, 32-8 | US9241942, 32-8)
Affinity DataIC50: 67nMpH: 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
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LigandPNGBDBM111372(US8614253, 32-8 | US9241942, 32-8)
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
In Depth
Date in BDB:
11/21/2016
Entry Details
Go to US Patent