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There are 44 purchasable compounds for target: hIRE1p

Wt: 166.1
BDBM110977
Purchase
Wt: 152.1
BDBM111039
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Wt: 254.3
BDBM111263
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Wt: 188.1
BDBM111265
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Wt: 242.2
BDBM111308
Purchase
Wt: 256.2
BDBM111309
Purchase
Wt: 184.5
BDBM110990
Purchase
Wt: 138.1
BDBM111044
Purchase
Wt: 199.2
BDBM111217
Purchase
Wt: 373.9
BDBM110994
Purchase
Wt: 199.2
BDBM111274
Purchase
Wt: 279.9
BDBM111000
Purchase
Wt: 167.1
BDBM111008
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Wt: 235.4
BDBM111010
Purchase
Wt: 201.0
BDBM111013
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Displayed 1 to 15 (of 44 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 110977,111039,111263,111265,111308,111309,110990,111044,111217,110994,111274,111000,111008,111010,111013   
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))
BDBM110977
PNG
(US8614253, 3-8)
Show SMILES COc1cc(C)cc(C=O)c1O
Show InChI InChI=1S/C9H9O3/c1-6-3-7(5-10)9(11)8(4-6)12-2/h3-5,11H,2H2,1H3
PDB
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n/an/a 120n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111000
PNG
(US8614253, 3-31 | US9241942, 3-31)
Show SMILES Oc1c(Br)cc(Br)cc1C=O
Show InChI InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
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UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay 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...


J Med Chem 57: 4289-301 (2014)


Article DOI: 10.1021/jm5002452
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM110994
PNG
(US8614253, 3-25 | US9241942, 3-25)
Show SMILES Oc1c(I)cc(I)cc1C=O
Show InChI InChI=1S/C7H4I2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111000
PNG
(US8614253, 3-31 | US9241942, 3-31)
Show SMILES Oc1c(Br)cc(Br)cc1C=O
Show InChI InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111008
PNG
(US8614253, 3-39 | US9241942, 3-39)
Show SMILES Oc1ccc(cc1C=O)[N+]([O-])=O
Show InChI InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H
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n/an/a 1.28E+3n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111010
PNG
(US8614253, 3-41 | US9241942, 3-41)
Show SMILES Oc1c(Br)cc(Cl)cc1C=O
Show InChI InChI=1S/C7H4BrClO2/c8-6-2-5(9)1-4(3-10)7(6)11/h1-3,11H
PDB
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n/an/a 1.30E+3n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111013
PNG
(US8614253, 3-44 | US9241942, 3-44)
Show SMILES Oc1ccc(Br)cc1C=O
Show InChI InChI=1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
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n/an/a 1.33E+3n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111039
PNG
(US8614253, 3-70 | US9241942, 3-70)
Show SMILES COc1ccc(O)c(C=O)c1
Show InChI InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
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n/an/a 8.85E+3n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111044
PNG
(US8614253, 3-75 | US9241942, 3-75)
Show SMILES Oc1cccc(C=O)c1O
Show InChI InChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H
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n/an/a 2.03E+4n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111217
PNG
(US8614253, 26-4 | US9241942, 26-4)
Show SMILES Oc1ccc(cc1C=O)-c1ccncc1
Show InChI InChI=1S/C12H9NO2/c14-8-11-7-10(1-2-12(11)15)9-3-5-13-6-4-9/h1-8,15H
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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111263
PNG
(US8614253, 43-23 | US9241942, 27-23)
Show SMILES Oc1ccc(cc1C=O)-c1cc2ccccc2s1
Show InChI InChI=1S/C15H10O2S/c16-9-12-7-11(5-6-13(12)17)15-8-10-3-1-2-4-14(10)18-15/h1-9,17H
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n/an/a<2.00E+4n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111265
PNG
(US8614253, 43-25 | US9241942, 27-25)
Show SMILES Oc1ccc(cc1C=O)-c1ccoc1
Show InChI InChI=1S/C11H8O3/c12-6-10-5-8(1-2-11(10)13)9-3-4-14-7-9/h1-7,13H
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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111274
PNG
(US8614253, 43-34 | US9241942, 27-34)
Show SMILES Oc1ccc(cc1C=O)-c1cccnc1
Show InChI InChI=1S/C12H9NO2/c14-8-11-6-9(3-4-12(11)15)10-2-1-5-13-7-10/h1-8,15H
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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111308
PNG
(US8614253, 43-68 | US9241942, 27-68)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(O)c(C=O)c1
Show InChI InChI=1S/C14H10O4/c15-8-12-7-10(4-5-13(12)16)9-2-1-3-11(6-9)14(17)18/h1-8,16H,(H,17,18)
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n/an/a 371n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111309
PNG
(US8614253, 43-69 | US9241942, 27-69)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(O)c(C=O)c1
Show InChI InChI=1S/C15H12O4/c1-19-15(18)11-4-2-10(3-5-11)12-6-7-14(17)13(8-12)9-16/h2-9,17H,1H3
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n/an/a 351n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM110990
PNG
(US8614253, 3-21 | US9241942, 3-21)
Show SMILES Oc1c(C=O)cc(Cl)cc1C=O
Show InChI InChI=1S/C8H5ClO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-4,12H
PDB
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n/an/a 400n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM110994
PNG
(US8614253, 3-25 | US9241942, 3-25)
Show SMILES Oc1c(I)cc(I)cc1C=O
Show InChI InChI=1S/C7H4I2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
PDB
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n/an/a 440n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111000
PNG
(US8614253, 3-31 | US9241942, 3-31)
Show SMILES Oc1c(Br)cc(Br)cc1C=O
Show InChI InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
PDB
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n/an/a 720n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111008
PNG
(US8614253, 3-39 | US9241942, 3-39)
Show SMILES Oc1ccc(cc1C=O)[N+]([O-])=O
Show InChI InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H
PDB
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n/an/a 1.28E+3n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111010
PNG
(US8614253, 3-41 | US9241942, 3-41)
Show SMILES Oc1c(Br)cc(Cl)cc1C=O
Show InChI InChI=1S/C7H4BrClO2/c8-6-2-5(9)1-4(3-10)7(6)11/h1-3,11H
PDB
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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111013
PNG
(US8614253, 3-44 | US9241942, 3-44)
Show SMILES Oc1ccc(Br)cc1C=O
Show InChI InChI=1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
PDB
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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111039
PNG
(US8614253, 3-70 | US9241942, 3-70)
Show SMILES COc1ccc(O)c(C=O)c1
Show InChI InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111044
PNG
(US8614253, 3-75 | US9241942, 3-75)
Show SMILES Oc1cccc(C=O)c1O
Show InChI InChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H
PDB
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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111217
PNG
(US8614253, 26-4 | US9241942, 26-4)
Show SMILES Oc1ccc(cc1C=O)-c1ccncc1
Show InChI InChI=1S/C12H9NO2/c14-8-11-7-10(1-2-12(11)15)9-3-5-13-6-4-9/h1-8,15H
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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111263
PNG
(US8614253, 43-23 | US9241942, 27-23)
Show SMILES Oc1ccc(cc1C=O)-c1cc2ccccc2s1
Show InChI InChI=1S/C15H10O2S/c16-9-12-7-11(5-6-13(12)17)15-8-10-3-1-2-4-14(10)18-15/h1-9,17H
PDB
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US Patent
n/an/a>2.00E+4n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111265
PNG
(US8614253, 43-25 | US9241942, 27-25)
Show SMILES Oc1ccc(cc1C=O)-c1ccoc1
Show InChI InChI=1S/C11H8O3/c12-6-10-5-8(1-2-11(10)13)9-3-4-14-7-9/h1-7,13H
PDB
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n/an/a 441n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111274
PNG
(US8614253, 43-34 | US9241942, 27-34)
Show SMILES Oc1ccc(cc1C=O)-c1cccnc1
Show InChI InChI=1S/C12H9NO2/c14-8-11-6-9(3-4-12(11)15)10-2-1-5-13-7-10/h1-8,15H
PDB
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n/an/a 141n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111308
PNG
(US8614253, 43-68 | US9241942, 27-68)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(O)c(C=O)c1
Show InChI InChI=1S/C14H10O4/c15-8-12-7-10(4-5-13(12)16)9-2-1-3-11(6-9)14(17)18/h1-8,16H,(H,17,18)
PDB
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n/an/a 371n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111309
PNG
(US8614253, 43-69 | US9241942, 27-69)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(O)c(C=O)c1
Show InChI InChI=1S/C15H12O4/c1-19-15(18)11-4-2-10(3-5-11)12-6-7-14(17)13(8-12)9-16/h2-9,17H,1H3
PDB
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n/an/a 351n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111217
PNG
(US8614253, 26-4 | US9241942, 26-4)
Show SMILES Oc1ccc(cc1C=O)-c1ccncc1
Show InChI InChI=1S/C12H9NO2/c14-8-11-7-10(1-2-12(11)15)9-3-5-13-6-4-9/h1-8,15H
PDB
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n/an/an/an/a 8.00E+4n/an/an/an/a



MannKind Corporation

US Patent


Assay 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...


US Patent US9241942 (2016)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111263
PNG
(US8614253, 43-23 | US9241942, 27-23)
Show SMILES Oc1ccc(cc1C=O)-c1cc2ccccc2s1
Show InChI InChI=1S/C15H10O2S/c16-9-12-7-11(5-6-13(12)17)15-8-10-3-1-2-4-14(10)18-15/h1-9,17H
PDB
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n/an/an/an/a 8.00E+4n/an/an/an/a



MannKind Corporation

US Patent


Assay 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...


US Patent US9241942 (2016)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111265
PNG
(US8614253, 43-25 | US9241942, 27-25)
Show SMILES Oc1ccc(cc1C=O)-c1ccoc1
Show InChI InChI=1S/C11H8O3/c12-6-10-5-8(1-2-11(10)13)9-3-4-14-7-9/h1-7,13H
PDB
MMDB

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n/an/an/an/a 8.00E+4n/an/an/an/a



MannKind Corporation

US Patent


Assay 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...


US Patent US9241942 (2016)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111274
PNG
(US8614253, 43-34 | US9241942, 27-34)
Show SMILES Oc1ccc(cc1C=O)-c1cccnc1
Show InChI InChI=1S/C12H9NO2/c14-8-11-6-9(3-4-12(11)15)10-2-1-5-13-7-10/h1-8,15H
PDB
MMDB

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n/an/an/an/a 8.00E+4n/an/an/an/a



MannKind Corporation

US Patent


Assay 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...


US Patent US9241942 (2016)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111308
PNG
(US8614253, 43-68 | US9241942, 27-68)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(O)c(C=O)c1
Show InChI InChI=1S/C14H10O4/c15-8-12-7-10(4-5-13(12)16)9-2-1-3-11(6-9)14(17)18/h1-8,16H,(H,17,18)
PDB
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n/an/an/an/a 8.00E+4n/an/an/an/a



MannKind Corporation

US Patent


Assay 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...


US Patent US9241942 (2016)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111309
PNG
(US8614253, 43-69 | US9241942, 27-69)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(O)c(C=O)c1
Show InChI InChI=1S/C15H12O4/c1-19-15(18)11-4-2-10(3-5-11)12-6-7-14(17)13(8-12)9-16/h2-9,17H,1H3
PDB
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n/an/an/an/a 3.00E+4n/an/an/an/a



MannKind Corporation

US Patent


Assay 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...


US Patent US9241942 (2016)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM110990
PNG
(US8614253, 3-21 | US9241942, 3-21)
Show SMILES Oc1c(C=O)cc(Cl)cc1C=O
Show InChI InChI=1S/C8H5ClO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-4,12H
PDB
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n/an/a 400n/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)

More data for this
Ligand-Target Pair