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Compile Data Set for Download or QSAR

Found 302 hits of ph data 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))
BDBM110970
PNG
(US8614253, 3-1 | US9241942, 3-1)
Show SMILES COc1cc(Br)c(Br)c(C=O)c1O
Show InChI InChI=1S/C8H6Br2O3/c1-13-6-2-5(9)7(10)4(3-11)8(6)12/h2-3,12H,1H3
PDB
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n/an/a 30n/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))
BDBM110971
PNG
(US8614253, 3-2 | US9241942, 3-2)
Show SMILES Oc1c(C=O)cc(cc1[N+]([O-])=O)-c1cccs1
Show InChI InChI=1S/C11H7NO4S/c13-6-8-4-7(10-2-1-3-17-10)5-9(11(8)14)12(15)16/h1-6,14H
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n/an/a 30n/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))
BDBM110972
PNG
(US8614253, 3-3 | US8614253, 43-10 | US9241942, 3-3)
Show SMILES Oc1c(F)cc(cc1C=O)-c1cccs1
Show InChI InChI=1S/C11H7FO2S/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 40n/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))
BDBM110973
PNG
(US8614253, 3-4 | US8614253, 43-81 | US9241942, 3-4)
Show SMILES Oc1c(F)cc(cc1C=O)-c1cncnc1
Show InChI InChI=1S/C11H7FN2O2/c12-10-2-7(1-8(5-15)11(10)16)9-3-13-6-14-4-9/h1-6,16H
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n/an/a 70n/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))
BDBM110974
PNG
(US8614253, 3-5 | US9241942, 3-5)
Show SMILES COc1ccc(Br)c(C=O)c1O
Show InChI InChI=1S/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3
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n/an/a 80n/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))
BDBM110975
PNG
(US8614253, 3-6 | US8614253, 43-4 | US9241942, 3-6)
Show SMILES Oc1ccc(cc1C=O)-c1cccs1
Show InChI InChI=1S/C11H8O2S/c12-7-9-6-8(3-4-10(9)13)11-2-1-5-14-11/h1-7,13H
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n/an/a 100n/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))
BDBM110976
PNG
(US8614253, 3-7 | US9241942, 3-7)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc2OCCCOc2c1
Show InChI InChI=1S/C17H16O5/c1-20-16-9-12(7-13(10-18)17(16)19)11-3-4-14-15(8-11)22-6-2-5-21-14/h3-4,7-10,19H,2,5-6H2,1H3
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n/an/a 110n/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))
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
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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)


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


(Homo sapiens (Human))
BDBM110978
PNG
(US8614253, 3-9 | US9241942, 3-9)
Show SMILES COc1cc(cc(C=O)c1O)[N+]([O-])=O
Show InChI InChI=1S/C8H7NO5/c1-14-7-3-6(9(12)13)2-5(4-10)8(7)11/h2-4,11H,1H3
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n/an/a 170n/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))
BDBM110979
PNG
(US8614253, 3-10 | US8614253, 42-1 | US8614253, 43-...)
Show SMILES COc1cc(cc(C=O)c1O)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C15H12O5/c1-20-13-7-11(6-12(8-16)14(13)17)9-3-2-4-10(5-9)15(18)19/h2-8,17H,1H3,(H,18,19)
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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))
BDBM110980
PNG
(US8614253, 3-11 | US9241942, 3-11)
Show SMILES COc1cc(Br)cc(C=O)c1O
Show InChI InChI=1S/C8H7BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3
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n/an/a 240n/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))
BDBM110981
PNG
(US8614253, 3-12 | US9241942, 3-12)
Show SMILES COCc1ccc(cc1)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C16H16O4/c1-19-10-11-3-5-12(6-4-11)13-7-14(9-17)16(18)15(8-13)20-2/h3-9,18H,10H2,1-2H3
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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))
BDBM110982
PNG
(US8614253, 3-13 | US9241942, 3-13)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C15H12O5/c1-18-14-6-10(4-11(7-16)15(14)17)9-2-3-12-13(5-9)20-8-19-12/h2-7,17H,8H2,1H3
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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))
BDBM110983
PNG
(US8614253, 3-14 | US8614253, 42-12 | US8614253, 43...)
Show SMILES COc1cc(cc(C=O)c1O)-c1cccs1
Show InChI InChI=1S/C12H10O3S/c1-15-10-6-8(11-3-2-4-16-11)5-9(7-13)12(10)14/h2-7,14H,1H3
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n/an/a 270n/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))
BDBM110984
PNG
(US8614253, 3-15 | US9241942, 3-15)
Show SMILES COc1cc(Cl)cc(C=O)c1O
Show InChI InChI=1S/C8H7ClO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,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))
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 300n/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))
BDBM110986
PNG
(US8614253, 3-17 | US9241942, 3-17)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc(O)cc1
Show InChI InChI=1S/C14H12O4/c1-18-13-7-10(6-11(8-15)14(13)17)9-2-4-12(16)5-3-9/h2-8,16-17H,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))
BDBM110987
PNG
(US8614253, 3-18 | US9241942, 3-18)
Show SMILES COc1ccc(cc1OC)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C16H16O5/c1-19-13-5-4-10(7-14(13)20-2)11-6-12(9-17)16(18)15(8-11)21-3/h4-9,18H,1-3H3
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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))
BDBM110988
PNG
(US8614253, 3-19 | US9241942, 3-19)
Show SMILES COc1cccc(c1F)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C15H13FO4/c1-19-12-5-3-4-11(14(12)16)9-6-10(8-17)15(18)13(7-9)20-2/h3-8,18H,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))
BDBM110989
PNG
(US8614253, 3-20 | US9241942, 3-20)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc(CO)cc1
Show InChI InChI=1S/C15H14O4/c1-19-14-7-12(6-13(9-17)15(14)18)11-4-2-10(8-16)3-5-11/h2-7,9,16,18H,8H2,1H3
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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))
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
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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)


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


(Homo sapiens (Human))
BDBM110991
PNG
(US8614253, 3-22 | US9241942, 3-22)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccccc1F
Show InChI InChI=1S/C14H11FO3/c1-18-13-7-9(6-10(8-16)14(13)17)11-4-2-3-5-12(11)15/h2-8,17H,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))
BDBM110992
PNG
(US8614253, 3-23 | US9241942, 3-23)
Show SMILES COc1cccc(c1)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C15H14O4/c1-18-13-5-3-4-10(7-13)11-6-12(9-16)15(17)14(8-11)19-2/h3-9,17H,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))
BDBM110993
PNG
(US8614253, 3-24 | US8614253, 43-2 | US9241942, 3-2...)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc2OCCc2c1
Show InChI InChI=1S/C16H14O4/c1-19-15-8-12(7-13(9-17)16(15)18)10-2-3-14-11(6-10)4-5-20-14/h2-3,6-9,18H,4-5H2,1H3
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n/an/a 410n/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))
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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n/an/a 440n/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)
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
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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))
BDBM110996
PNG
(US8614253, 3-27 | US9241942, 3-27)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H14O5/c1-19-15-8-11(6-12(9-17)16(15)18)10-2-3-13-14(7-10)21-5-4-20-13/h2-3,6-9,18H,4-5H2,1H3
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n/an/a 540n/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))
BDBM110997
PNG
(US8614253, 3-28 | US9241942, 3-28)
Show SMILES Cc1noc(C)c1-c1cc(C=O)c(O)c(C=O)c1
Show InChI InChI=1S/C13H11NO4/c1-7-12(8(2)18-14-7)9-3-10(5-15)13(17)11(4-9)6-16/h3-6,17H,1-2H3
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n/an/a 550n/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))
BDBM110998
PNG
(US8614253, 3-29 | US9241942, 3-29)
Show SMILES COCc1cccc(c1)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C16H16O4/c1-19-10-11-4-3-5-12(6-11)13-7-14(9-17)16(18)15(8-13)20-2/h3-9,18H,10H2,1-2H3
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n/an/a 570n/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 580n/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))
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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n/an/a 720n/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))
BDBM111001
PNG
(US8614253, 3-32 | US9241942, 3-32)
Show SMILES COc1cc(cc(C=O)c1O)-c1cc(F)ccc1OC
Show InChI InChI=1S/C15H13FO4/c1-19-13-4-3-11(16)7-12(13)9-5-10(8-17)15(18)14(6-9)20-2/h3-8,18H,1-2H3
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n/an/a 750n/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))
BDBM111002
PNG
(US8614253, 3-33 | US9241942, 3-33)
Show SMILES COc1ccc(c(F)c1)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C15H13FO4/c1-19-11-3-4-12(13(16)7-11)9-5-10(8-17)15(18)14(6-9)20-2/h3-8,18H,1-2H3
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n/an/a 750n/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))
BDBM111003
PNG
(US8614253, 3-34 | US9241942, 3-34)
Show SMILES COc1cc(cc(C=O)c1O)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C17H18O6/c1-20-13-6-10(5-12(9-18)16(13)19)11-7-14(21-2)17(23-4)15(8-11)22-3/h5-9,19H,1-4H3
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n/an/a 790n/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))
BDBM111004
PNG
(US8614253, 3-35 | US9241942, 3-35)
Show SMILES CCOc1ccc(cc1)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C16H16O4/c1-3-20-14-6-4-11(5-7-14)12-8-13(10-17)16(18)15(9-12)19-2/h4-10,18H,3H2,1-2H3
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n/an/a 990n/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))
BDBM111005
PNG
(US8614253, 3-36 | US9241942, 3-36)
Show SMILES COc1ccc(cc1F)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C15H13FO4/c1-19-13-4-3-9(6-12(13)16)10-5-11(8-17)15(18)14(7-10)20-2/h3-8,18H,1-2H3
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n/an/a 1.01E+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))
BDBM111006
PNG
(US8614253, 3-37 | US9241942, 3-37)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C17H18O4/c1-11(2)21-15-6-4-12(5-7-15)13-8-14(10-18)17(19)16(9-13)20-3/h4-11,19H,1-3H3
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n/an/a 1.07E+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))
BDBM111007
PNG
(US8614253, 3-38 | US9241942, 3-38)
Show SMILES CCOc1ccc(cc1Cl)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C16H15ClO4/c1-3-21-14-5-4-10(7-13(14)17)11-6-12(9-18)16(19)15(8-11)20-2/h4-9,19H,3H2,1-2H3
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n/an/a 1.10E+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))
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)


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


(Homo sapiens (Human))
BDBM111009
PNG
(US8614253, 3-40 | US9241942, 3-40)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccccc1Cl
Show InChI InChI=1S/C14H11ClO3/c1-18-13-7-9(6-10(8-16)14(13)17)11-4-2-3-5-12(11)15/h2-8,17H,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2RF5SQR
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
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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)


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


(Homo sapiens (Human))
BDBM111011
PNG
(US8614253, 3-42 | US9241942, 3-42)
Show SMILES COc1ccc(c(OC)c1)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C16H16O5/c1-19-12-4-5-13(14(8-12)20-2)10-6-11(9-17)16(18)15(7-10)21-3/h4-9,18H,1-3H3
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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)


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


(Homo sapiens (Human))
BDBM111012
PNG
(US8614253, 3-43 | US9241942, 3-43)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc(OC)c(OC)c1OC
Show InChI InChI=1S/C17H18O6/c1-20-13-6-5-12(16(22-3)17(13)23-4)10-7-11(9-18)15(19)14(8-10)21-2/h5-9,19H,1-4H3
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n/an/a 1.31E+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))
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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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)


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


(Homo sapiens (Human))
BDBM111014
PNG
(US8614253, 3-45 | US9241942, 3-45)
Show SMILES COc1ccc(cc1)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C15H14O4/c1-18-13-5-3-10(4-6-13)11-7-12(9-16)15(17)14(8-11)19-2/h3-9,17H,1-2H3
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n/an/a 1.38E+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))
BDBM111015
PNG
(US8614253, 3-46 | US9241942, 3-46)
Show SMILES Oc1ccc(I)cc1C=O
Show InChI InChI=1S/C7H5IO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
PDB
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n/an/a 1.40E+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))
BDBM111016
PNG
(US8614253, 3-47 | US9241942, 3-47)
Show SMILES CCCOc1cccc(c1)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C17H18O4/c1-3-7-21-15-6-4-5-12(9-15)13-8-14(11-18)17(19)16(10-13)20-2/h4-6,8-11,19H,3,7H2,1-2H3
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UniChem

Similars

n/an/a 1.48E+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))
BDBM111017
PNG
(US8614253, 3-48 | US9241942, 3-48)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccccc1OC
Show InChI InChI=1S/C15H14O4/c1-18-13-6-4-3-5-12(13)10-7-11(9-16)15(17)14(8-10)19-2/h3-9,17H,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

n/an/a 1.59E+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))
BDBM111018
PNG
(US8614253, 3-49 | US9241942, 3-49)
Show SMILES COc1cc(cc(C=O)c1O)-c1cc(Cl)ccc1OC
Show InChI InChI=1S/C15H13ClO4/c1-19-13-4-3-11(16)7-12(13)9-5-10(8-17)15(18)14(6-9)20-2/h3-8,18H,1-2H3
PDB
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PC cid
PC sid
UniChem
n/an/a 1.64E+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))
BDBM111019
PNG
(US8614253, 3-50 | US9241942, 3-50)
Show SMILES Oc1c(Cl)cc(Cl)cc1C=O
Show InChI InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
PDB
MMDB

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Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 1.75E+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
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