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Compile Data Set for Download or QSAR

Found 1328 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM111023
PNG
(US8614253, 3-54 | US9241942, 3-54)
Show SMILES COc1c(O)c(C=O)cc2ccccc12
Show InChI InChI=1S/C12H10O3/c1-15-12-10-5-3-2-4-8(10)6-9(7-13)11(12)14/h2-7,14H,1H3
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n/an/a 2.26E+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)


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


(Homo sapiens (Human))
BDBM111024
PNG
(US8614253, 3-55 | US8614253, 3-63 | US9241942, 3-6...)
Show SMILES COc1cccc(C=O)c1O
Show InChI InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
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n/an/a 2.37E+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)


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


(Homo sapiens (Human))
BDBM111025
PNG
(US8614253, 3-56 | US9241942, 3-56)
Show SMILES CCOc1ccc(c(Cl)c1)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C16H15ClO4/c1-3-21-12-4-5-13(14(17)8-12)10-6-11(9-18)16(19)15(7-10)20-2/h4-9,19H,3H2,1-2H3
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n/an/a 2.70E+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)


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


(Homo sapiens (Human))
BDBM111026
PNG
(US8614253, 3-57 | US9241942, 3-57)
Show SMILES Oc1c(F)cccc1C=O
Show InChI InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H
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n/an/a 2.85E+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)


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


(Homo sapiens (Human))
BDBM111027
PNG
(US8614253, 3-58 | US9241942, 3-58)
Show SMILES Oc1c(F)cc(F)cc1C=O
Show InChI InChI=1S/C7H4F2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
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n/an/a 3.06E+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)


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


(Homo sapiens (Human))
BDBM111028
PNG
(US8614253, 3-59 | US9241942, 3-59)
Show SMILES Oc1ccc(Cl)cc1C=O
Show InChI InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
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n/an/a 3.12E+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)


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


(Homo sapiens (Human))
BDBM111029
PNG
(US8614253, 3-60 | US9241942, 3-60)
Show SMILES COc1cc(cc(C=O)c1O)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C21H18O4/c1-24-20-12-17(10-18(13-22)21(20)23)16-8-5-9-19(11-16)25-14-15-6-3-2-4-7-15/h2-13,23H,14H2,1H3
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n/an/a 4.04E+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)


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


(Homo sapiens (Human))
BDBM111030
PNG
(US8614253, 3-61 | US9241942, 3-61)
Show SMILES Oc1c(C=O)cccc1[N+]([O-])=O
Show InChI InChI=1S/C7H5NO4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H
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n/an/a 5.50E+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)


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


(Homo sapiens (Human))
BDBM111031
PNG
(US8614253, 3-62 | US9241942, 3-62)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc(OCc2ccccc2)c(F)c1
Show InChI InChI=1S/C21H17FO4/c1-25-20-11-16(9-17(12-23)21(20)24)15-7-8-19(18(22)10-15)26-13-14-5-3-2-4-6-14/h2-12,24H,13H2,1H3
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n/an/a 5.55E+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)


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


(Homo sapiens (Human))
BDBM111024
PNG
(US8614253, 3-55 | US8614253, 3-63 | US9241942, 3-6...)
Show SMILES COc1cccc(C=O)c1O
Show InChI InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
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n/an/a 5.75E+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)


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


(Homo sapiens (Human))
BDBM111033
PNG
(US8614253, 3-64 | US9241942, 3-64)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H16O4/c1-23-19-12-15(11-16(13-21)20(19)22)14-7-9-18(10-8-14)24-17-5-3-2-4-6-17/h2-13,22H,1H3
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n/an/a 6.34E+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)


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


(Homo sapiens (Human))
BDBM111034
PNG
(US8614253, 3-65 | US9241942, 3-65)
Show SMILES Oc1c(C=O)cc(Br)cc1[N+]([O-])=O
Show InChI InChI=1S/C7H4BrNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-3,11H
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n/an/a 6.60E+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)


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


(Homo sapiens (Human))
BDBM111035
PNG
(US8614253, 3-66 | US9241942, 3-66)
Show SMILES COc1cc(O)c(C=O)c(OC)c1
Show InChI InChI=1S/C9H10O4/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-5,11H,1-2H3
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n/an/a 6.83E+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)


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


(Homo sapiens (Human))
BDBM111036
PNG
(US8614253, 3-67 | US8614253, 3-74 | US8614253, 43-...)
Show SMILES COc1ccc(-c2ccncc2)c(C=O)c1O
Show InChI InChI=1S/C13H11NO3/c1-17-12-3-2-10(11(8-15)13(12)16)9-4-6-14-7-5-9/h2-8,16H,1H3
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n/an/a 7.55E+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)


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


(Homo sapiens (Human))
BDBM111037
PNG
(US8614253, 3-68 | US9241942, 3-68)
Show SMILES COc1ccc(-c2ccc(cc2)C(C)C)c(C=O)c1O
Show InChI InChI=1S/C17H18O3/c1-11(2)12-4-6-13(7-5-12)14-8-9-16(20-3)17(19)15(14)10-18/h4-11,19H,1-3H3
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n/an/a 8.20E+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)


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


(Homo sapiens (Human))
BDBM111038
PNG
(US8614253, 3-69 | US9241942, 3-69)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C21H18O4/c1-24-20-12-16(11-17(13-22)21(20)23)18-9-5-6-10-19(18)25-14-15-7-3-2-4-8-15/h2-13,23H,14H2,1H3
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n/an/a 8.47E+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)


BindingDB Entry DOI: 10.7270/Q2RF5SQR
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)


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


(Homo sapiens (Human))
BDBM111040
PNG
(US8614253, 3-71 | US9241942, 3-71)
Show SMILES COc1ccc(c(OC)n1)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C15H15NO5/c1-19-12-7-9(6-10(8-17)14(12)18)11-4-5-13(20-2)16-15(11)21-3/h4-8,18H,1-3H3
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n/an/a 9.27E+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)


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


(Homo sapiens (Human))
BDBM111041
PNG
(US8614253, 3-72 | US9241942, 3-72)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C17H18O3/c1-11(2)12-4-6-13(7-5-12)14-8-15(10-18)17(19)16(9-14)20-3/h4-11,19H,1-3H3
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n/an/a 9.40E+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)


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


(Homo sapiens (Human))
BDBM111042
PNG
(US8614253, 3-73 | US9241942, 3-73)
Show SMILES COc1ccc(-c2ccc3ccccc3c2)c(C=O)c1O
Show InChI InChI=1S/C18H14O3/c1-21-17-9-8-15(16(11-19)18(17)20)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,20H,1H3
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n/an/a 9.75E+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)


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


(Homo sapiens (Human))
BDBM111036
PNG
(US8614253, 3-67 | US8614253, 3-74 | US8614253, 43-...)
Show SMILES COc1ccc(-c2ccncc2)c(C=O)c1O
Show InChI InChI=1S/C13H11NO3/c1-17-12-3-2-10(11(8-15)13(12)16)9-4-6-14-7-5-9/h2-8,16H,1H3
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n/an/a 1.77E+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)


BindingDB Entry DOI: 10.7270/Q2RF5SQR
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)


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


(Homo sapiens (Human))
BDBM110999
PNG
(US8614253, 26-1 | US8614253, 3-30 | US9241942, 3-3...)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccncc1
Show InChI InChI=1S/C13H11NO3/c1-17-12-7-10(6-11(8-15)13(12)16)9-2-4-14-5-3-9/h2-8,16H,1H3
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n/an/a 104n/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))
BDBM110985
PNG
(US8614253, 26-2 | US8614253, 3-16 | US9241942, 3-1...)
Show SMILES COc1cc(cc(C=O)c1O)-c1cnn(C)c1
Show InChI InChI=1S/C12H12N2O3/c1-14-6-10(5-13-14)8-3-9(7-15)12(16)11(4-8)17-2/h3-7,16H,1-2H3
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n/an/a 772n/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))
BDBM111216
PNG
(US8614253, 26-3 | US9241942, 26-3)
Show SMILES OC(=O)c1ccc(-c2cncnc2)c(C=O)c1O
Show InChI InChI=1S/C12H8N2O4/c15-5-10-8(7-3-13-6-14-4-7)1-2-9(11(10)16)12(17)18/h1-6,16H,(H,17,18)
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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)


BindingDB Entry DOI: 10.7270/Q2RF5SQR
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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n/an/a 147n/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))
BDBM111218
PNG
(US8614253, 26-5 | US9241942, 26-5)
Show SMILES Oc1c(F)cc(cc1C=O)-c1cccnc1
Show InChI InChI=1S/C12H8FNO2/c13-11-5-9(4-10(7-15)12(11)16)8-2-1-3-14-6-8/h1-7,16H
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n/an/a 163n/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))
BDBM111219
PNG
(US8614253, 26-6 | US9241942, 26-6)
Show SMILES COc1cc(cc(C=O)c1O)-c1cccnc1
Show InChI InChI=1S/C13H11NO3/c1-17-12-6-10(5-11(8-15)13(12)16)9-3-2-4-14-7-9/h2-8,16H,1H3
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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)


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


(Homo sapiens (Human))
BDBM111220
PNG
(US8614253, 26-7 | US9241942, 26-7)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc(C)s1
Show InChI InChI=1S/C13H12O3S/c1-8-3-4-12(17-8)9-5-10(7-14)13(15)11(6-9)16-2/h3-7,15H,1-2H3
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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)


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


(Homo sapiens (Human))
BDBM111221
PNG
(US8614253, 26-8 | US9241942, 26-8)
Show SMILES COc1ccc(cn1)-c1cc(F)c(O)c(C=O)c1
Show InChI InChI=1S/C13H10FNO3/c1-18-12-3-2-8(6-15-12)9-4-10(7-16)13(17)11(14)5-9/h2-7,17H,1H3
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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)


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


(Homo sapiens (Human))
BDBM111222
PNG
(US8614253, 26-9 | US9241942, 26-9)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc(s1)C(C)=O
Show InChI InChI=1S/C14H12O4S/c1-8(16)12-3-4-13(19-12)9-5-10(7-15)14(17)11(6-9)18-2/h3-7,17H,1-2H3
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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)


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


(Homo sapiens (Human))
BDBM111223
PNG
(US8614253, 26-10 | US9241942, 26-10)
Show SMILES COc1ccc(cn1)-c1cc(C=O)c(O)c(c1)N(=O)=O
Show InChI InChI=1S/C13H10N2O5/c1-20-12-3-2-8(6-14-12)9-4-10(7-16)13(17)11(5-9)15(18)19/h2-7,17H,1H3
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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)


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


(Homo sapiens (Human))
BDBM111224
PNG
(US8614253, 26-11 | US9241942, 26-11)
Show SMILES COc1cc(cc(C=O)c1O)-c1cccc2ncccc12
Show InChI InChI=1S/C17H13NO3/c1-21-16-9-11(8-12(10-19)17(16)20)13-4-2-6-15-14(13)5-3-7-18-15/h2-10,20H,1H3
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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)


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


(Homo sapiens (Human))
BDBM111225
PNG
(US8614253, 26-12 | US9241942, 26-12)
Show SMILES Oc1c(F)cc(cc1C=O)-c1cccc2ncccc12
Show InChI InChI=1S/C16H10FNO2/c17-14-8-10(7-11(9-19)16(14)20)12-3-1-5-15-13(12)4-2-6-18-15/h1-9,20H
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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)


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


(Homo sapiens (Human))
BDBM111226
PNG
(US8614253, 26-13 | US9241942, 26-13)
Show SMILES Oc1c(C=O)cc(cc1N(=O)=O)-c1cccc2ncccc12
Show InChI InChI=1S/C16H10N2O4/c19-9-11-7-10(8-15(16(11)20)18(21)22)12-3-1-5-14-13(12)4-2-6-17-14/h1-9,20H
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n/an/a 3.33E+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)


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


(Homo sapiens (Human))
BDBM111227
PNG
(US8614253, 26-14 | US9241942, 26-14)
Show SMILES COc1cc(cc(C=O)c1O)-c1cncc2ccccc12
Show InChI InChI=1S/C17H13NO3/c1-21-16-7-12(6-13(10-19)17(16)20)15-9-18-8-11-4-2-3-5-14(11)15/h2-10,20H,1H3
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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)


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


(Homo sapiens (Human))
BDBM111228
PNG
(US8614253, 26-15 | US9241942, 26-15)
Show SMILES COc1ccc(cn1)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C14H13NO4/c1-18-12-6-10(5-11(8-16)14(12)17)9-3-4-13(19-2)15-7-9/h3-8,17H,1-2H3
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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)


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


(Homo sapiens (Human))
BDBM111229
PNG
(US8614253, 26-16 | US9241942, 26-16)
Show SMILES Oc1c(C=O)cc(cc1N(=O)=O)-c1csc2ccccc12
Show InChI InChI=1S/C15H9NO4S/c17-7-10-5-9(6-13(15(10)18)16(19)20)12-8-21-14-4-2-1-3-11(12)14/h1-8,18H
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n/an/a 2.37E+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)


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


(Homo sapiens (Human))
BDBM111230
PNG
(US8614253, 26-17 | US9241942, 26-17)
Show SMILES COc1cc(cc(C=O)c1O)-c1cc2ccccc2o1
Show InChI InChI=1S/C16H12O4/c1-19-15-8-11(6-12(9-17)16(15)18)14-7-10-4-2-3-5-13(10)20-14/h2-9,18H,1H3
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n/an/a 82n/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))
BDBM111231
PNG
(US8614253, 26-18 | US9241942, 26-18)
Show SMILES Cc1noc(C)c1-c1cc(F)c(O)c(C=O)c1
Show InChI InChI=1S/C12H10FNO3/c1-6-11(7(2)17-14-6)8-3-9(5-15)12(16)10(13)4-8/h3-5,16H,1-2H3
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n/an/a 994n/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))
BDBM111232
PNG
(US8614253, 26-19 | US9241942, 26-19)
Show SMILES Oc1c(F)cc(cc1C=O)-c1ccco1
Show InChI InChI=1S/C11H7FO3/c12-9-5-7(10-2-1-3-15-10)4-8(6-13)11(9)14/h1-6,14H
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n/an/a 190n/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))
BDBM111233
PNG
(US8614253, 26-20 | US9241942, 26-20)
Show SMILES Oc1c(C=O)cc(cc1C(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C13H8F3NO2/c14-13(15,16)11-5-9(4-10(7-18)12(11)19)8-2-1-3-17-6-8/h1-7,19H
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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)


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


(Homo sapiens (Human))
BDBM111234
PNG
(US8614253, 26-21 | US9241942, 26-21)
Show SMILES CC(=O)c1ccc(s1)-c1cc(F)c(O)c(C=O)c1
Show InChI InChI=1S/C13H9FO3S/c1-7(16)11-2-3-12(18-11)8-4-9(6-15)13(17)10(14)5-8/h2-6,17H,1H3
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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)


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


(Homo sapiens (Human))
BDBM111235
PNG
(US8614253, 26-22 | US9241942, 26-22)
Show SMILES Oc1c(F)cc(cc1C=O)-c1cncc2ccccc12
Show InChI InChI=1S/C16H10FNO2/c17-15-6-11(5-12(9-19)16(15)20)14-8-18-7-10-3-1-2-4-13(10)14/h1-9,20H
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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)


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


(Homo sapiens (Human))
BDBM111236
PNG
(US8614253, 26-23 | US9241942, 26-23)
Show SMILES Oc1c(C=O)cc(cc1N(=O)=O)-c1cncc2ccccc12
Show InChI InChI=1S/C16H10N2O4/c19-9-12-5-11(6-15(16(12)20)18(21)22)14-8-17-7-10-3-1-2-4-13(10)14/h1-9,20H
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n/an/a 754n/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))
BDBM111237
PNG
(US8614253, 26-24 | US9241942, 26-24)
Show SMILES Oc1c(C=O)cc(cc1C(F)(F)F)-c1cncc2ccccc12
Show InChI InChI=1S/C17H10F3NO2/c18-17(19,20)15-6-11(5-12(9-22)16(15)23)14-8-21-7-10-3-1-2-4-13(10)14/h1-9,23H
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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)


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


(Homo sapiens (Human))
BDBM111375
PNG
(US8614253, 32-11 | US8614253, 33-2 | US8614253, 42...)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(s1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H17NO4S/c22-12-16-15-3-1-14(11-13(15)2-4-17(16)23)18-5-6-19(26-18)20(24)21-7-9-25-10-8-21/h1-6,11-12,23H,7-10H2
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n/an/a 157n/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))
BDBM111383
PNG
(US8614253, 34-2 | US8614253, 42-9 | US9241942, 42-...)
Show SMILES Oc1cnc2ccccc2c1C=O
Show InChI InChI=1S/C10H7NO2/c12-6-8-7-3-1-2-4-9(7)11-5-10(8)13/h1-6,13H
PDB
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n/an/a 45n/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))
BDBM111385
PNG
(US8614253, 35-1 | US8614253, 42-10 | US9241942, 42...)
Show SMILES Oc1ccc2cnccc2c1C=O
Show InChI InChI=1S/C10H7NO2/c12-6-9-8-3-4-11-5-7(8)1-2-10(9)13/h1-6,13H
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n/an/a 427n/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))
BDBM111436
PNG
(US8614253, 42-11 | US9241942, 42-11)
Show SMILES Cc1nc2ccccc2c(C=O)c1O
Show InChI InChI=1S/C11H9NO2/c1-7-11(14)9(6-13)8-4-2-3-5-10(8)12-7/h2-6,14H,1H3
PDB
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UniChem
n/an/a 3.64E+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)


BindingDB Entry DOI: 10.7270/Q2RF5SQR
More data for this
Ligand-Target Pair
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