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BDBM110995 US8614253, 3-26::US9241942, 3-26::US9963434, Compound 3-26

SMILES: COc1ccc(c(OC)n1)-c1cc(C=O)c(O)c(c1)[N+]([O-])=O

InChI Key: InChIKey=UOGSLNDROBSYOO-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 110995   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM110995
PNG
(US8614253, 3-26 | US9241942, 3-26 | US9963434, Com...)
Show SMILES COc1ccc(c(OC)n1)-c1cc(C=O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O6/c1-21-12-4-3-10(14(15-12)22-2)8-5-9(7-17)13(18)11(6-8)16(19)20/h3-7,18H,1-2H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 510n/an/an/an/a7.530



MannKind Corporation

US Patent


Assay 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 ...


US Patent US8614253 (2013)


BindingDB Entry DOI: 10.7270/Q2RF5SQR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM110995
PNG
(US8614253, 3-26 | US9241942, 3-26 | US9963434, Com...)
Show SMILES COc1ccc(c(OC)n1)-c1cc(C=O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O6/c1-21-12-4-3-10(14(15-12)22-2)8-5-9(7-17)13(18)11(6-8)16(19)20/h3-7,18H,1-2H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 510n/an/an/an/an/an/a



FOSUN ORINOVE PHARMATECH, INC.

US Patent


Assay 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...


US Patent US9981901 (2018)


BindingDB Entry DOI: 10.7270/Q2BK1FQR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM110995
PNG
(US8614253, 3-26 | US9241942, 3-26 | US9963434, Com...)
Show SMILES COc1ccc(c(OC)n1)-c1cc(C=O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O6/c1-21-12-4-3-10(14(15-12)22-2)8-5-9(7-17)13(18)11(6-8)16(19)20/h3-7,18H,1-2H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 510n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay 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...


US Patent US9241942 (2016)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair