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Compile Data Set for Download or QSAR

Found 189 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 7561   
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


(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/an/an/a 7.00E+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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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/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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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/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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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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n/an/an/an/a 7.00E+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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111238
PNG
(US8614253, 26-25 | US9241942, 26-25)
Show SMILES COc1cc(cc(C=O)c1O)-c1cn[nH]c1
Show InChI InChI=1S/C11H10N2O3/c1-16-10-3-7(9-4-12-13-5-9)2-8(6-14)11(10)15/h2-6,15H,1H3,(H,12,13)
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111239
PNG
(US8614253, 26-26 | US9241942, 26-26)
Show SMILES Cn1cc(cn1)-c1cc(F)c(O)c(C=O)c1
Show InChI InChI=1S/C11H9FN2O2/c1-14-5-9(4-13-14)7-2-8(6-15)11(16)10(12)3-7/h2-6,16H,1H3
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111240
PNG
(US8614253, 26-27 | US9241942, 26-27)
Show SMILES Cn1cc(cn1)-c1cc(C=O)c(O)c(c1)N(=O)=O
Show InChI InChI=1S/C11H9N3O4/c1-13-5-9(4-12-13)7-2-8(6-15)11(16)10(3-7)14(17)18/h2-6,16H,1H3
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111243
PNG
(US8614253, 43-3 | US9241942, 27-3)
Show SMILES COC(=O)c1ccc(cc1)-c1cc(OC)c(O)c(C=O)c1
Show InChI InChI=1S/C16H14O5/c1-20-14-8-12(7-13(9-17)15(14)18)10-3-5-11(6-4-10)16(19)21-2/h3-9,18H,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111246
PNG
(US8614253, 43-6 | US9241942, 27-6)
Show SMILES Oc1ccc(cc1C=O)-c1cncnc1
Show InChI InChI=1S/C11H8N2O2/c14-6-9-3-8(1-2-11(9)15)10-4-12-7-13-5-10/h1-7,15H
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111247
PNG
(US8614253, 43-7 | US9241942, 27-7)
Show SMILES COc1cc(cc(C=O)c1O)-c1cncnc1
Show InChI InChI=1S/C12H10N2O3/c1-17-11-3-8(2-9(6-15)12(11)16)10-4-13-7-14-5-10/h2-7,16H,1H3
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111248
PNG
(US8614253, 43-8 | US9241942, 27-8)
Show SMILES Oc1c(C=O)cc(cc1N(=O)=O)-c1cncnc1
Show InChI InChI=1S/C11H7N3O4/c15-5-8-1-7(9-3-12-6-13-4-9)2-10(11(8)16)14(17)18/h1-6,16H
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111249
PNG
(US8614253, 43-9 | US9241942, 27-9)
Show SMILES COc1cc(cc(C=O)c1O)-c1c(C)noc1C
Show InChI InChI=1S/C13H13NO4/c1-7-12(8(2)18-14-7)9-4-10(6-15)13(16)11(5-9)17-3/h4-6,16H,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111251
PNG
(US8614253, 43-11 | US9241942, 27-11)
Show SMILES Oc1c(C=O)cc(cc1N(=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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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111252
PNG
(US8614253, 43-12 | US9241942, 27-12)
Show SMILES COc1ccc(-c2cccs2)c(C=O)c1O
Show InChI InChI=1S/C12H10O3S/c1-15-10-5-4-8(9(7-13)12(10)14)11-3-2-6-16-11/h2-7,14H,1H3
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111253
PNG
(US8614253, 43-13 | US9241942, 27-13)
Show SMILES Oc1c(C=O)cc(cc1N(=O)=O)-c1ccsc1
Show InChI InChI=1S/C11H7NO4S/c13-5-9-3-8(7-1-2-17-6-7)4-10(11(9)14)12(15)16/h1-6,14H
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111254
PNG
(US8614253, 43-14 | US9241942, 27-14)
Show SMILES COc1cc(cc(C=O)c1O)-c1cc2ccccc2s1
Show InChI InChI=1S/C16H12O3S/c1-19-13-7-11(6-12(9-17)16(13)18)15-8-10-4-2-3-5-14(10)20-15/h2-9,18H,1H3
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111255
PNG
(US8614253, 43-15 | US9241942, 27-15)
Show SMILES COc1cc(cc(C=O)c1O)-c1csc2ccccc12
Show InChI InChI=1S/C16H12O3S/c1-19-14-7-10(6-11(8-17)16(14)18)13-9-20-15-5-3-2-4-12(13)15/h2-9,18H,1H3
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111256
PNG
(US8614253, 43-16 | US9241942, 27-16)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccsc1
Show InChI InChI=1S/C12H10O3S/c1-15-11-5-9(8-2-3-16-7-8)4-10(6-13)12(11)14/h2-7,14H,1H3
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111257
PNG
(US8614253, 43-17 | US9241942, 27-17)
Show SMILES Oc1ccc(cc1C=O)-c1ccsc1
Show InChI InChI=1S/C11H8O2S/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
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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111258
PNG
(US8614253, 43-18 | US9241942, 27-18)
Show SMILES Cc1noc(C)c1-c1ccc(O)c(C=O)c1
Show InChI InChI=1S/C12H11NO3/c1-7-12(8(2)16-13-7)9-3-4-11(15)10(5-9)6-14/h3-6,15H,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM202538
PNG
(US9241942, 27-19)
Show SMILES Cc1c[nH]c(C)c1-c1cc(C=O)c(O)c(c1)N(=O)=O
Show InChI InChI=1S/C12H11N2O5/c1-6-11(7(2)19-13-6)8-3-9(5-15)12(16)10(4-8)14(17)18/h3-5,13,16H,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111260
PNG
(US8614253, 43-20 | US9241942, 27-20)
Show SMILES Oc1ccc(cc1C=O)-c1ccc2OCCc2c1
Show InChI InChI=1S/C15H12O3/c16-9-13-8-10(1-3-14(13)17)11-2-4-15-12(7-11)5-6-18-15/h1-4,7-9,17H,5-6H2
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111261
PNG
(US8614253, 43-21 | US9241942, 27-21)
Show SMILES Oc1c(F)cc(cc1C=O)-c1ccc2OCCc2c1
Show InChI InChI=1S/C15H11FO3/c16-13-7-11(6-12(8-17)15(13)18)9-1-2-14-10(5-9)3-4-19-14/h1-2,5-8,18H,3-4H2
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM111262
PNG
(US8614253, 43-22 | US9241942, 27-22)
Show SMILES Oc1c(F)cc(cc1C=O)-c1ccsc1
Show InChI InChI=1S/C11H7FO2S/c12-10-4-8(7-1-2-15-6-7)3-9(5-13)11(10)14/h1-6,14H
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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)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1


(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/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)


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