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USPatent US9241942

Compile Data Set for Download or QSAR

Found 494 hits of Enzyme Inhibition Constant Data   
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))		BDBM111368
PNG
(US8614253, 32-4 | US9241942, 32-4 | US9493435, 168)
Show SMILES CC(C)NC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C21H19NO3/c1-13(2)22-21(25)17-5-3-4-14(11-17)15-6-8-18-16(10-15)7-9-20(24)19(18)12-23/h3-13,24H,1-2H3,(H,22,25)
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n/an/a 3n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111376
PNG
(US8614253, 32-12 | US8614253, 33-3 | US9241942, 33...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(s1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C21H20N2O3S/c1-22-8-10-23(11-9-22)21(26)20-7-6-19(27-20)15-2-4-16-14(12-15)3-5-18(25)17(16)13-24/h2-7,12-13,25H,8-11H2,1H3
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n/an/a 5n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM202540
PNG
(US9241942, 32-12 | US9493435, 56)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(o1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C21H20N2O4/c1-22-8-10-23(11-9-22)21(26)20-7-6-19(27-20)15-2-4-16-14(12-15)3-5-18(25)17(16)13-24/h2-7,12-13,25H,8-11H2,1H3
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n/an/a 5n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111339
PNG
(US8614253, 28-15 | US9241942, 28-13)
Show SMILES COc1cc(cc(C=O)c1O)-c1cccc(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H19NO4/c1-27-20-12-18(11-19(14-24)21(20)25)16-8-5-9-17(10-16)22(26)23-13-15-6-3-2-4-7-15/h2-12,14,25H,13H2,1H3,(H,23,26)
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n/an/a 6n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111406
PNG
(US8614253, 38-7 | US9241942, 38-7)
Show SMILES COc1cc(cc(\C=N/CCO)c1O)-c1cccs1
Show InChI InChI=1S/C14H15NO3S/c1-18-12-8-10(13-3-2-6-19-13)7-11(14(12)17)9-15-4-5-16/h2-3,6-9,16-17H,4-5H2,1H3/b15-9-
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111336
PNG
(US8614253, 28-12 | US8614253, 42-2 | US9241942, 42...)
Show SMILES COc1cc(cc(C=O)c1O)-c1cccc(c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H23NO4/c1-26-19-12-16(11-17(13-23)20(19)24)14-6-5-7-15(10-14)21(25)22-18-8-3-2-4-9-18/h5-7,10-13,18,24H,2-4,8-9H2,1H3,(H,22,25)
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n/an/a 19n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111336
PNG
(US8614253, 28-12 | US8614253, 42-2 | US9241942, 42...)
Show SMILES COc1cc(cc(C=O)c1O)-c1cccc(c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H23NO4/c1-26-19-12-16(11-17(13-23)20(19)24)14-6-5-7-15(10-14)21(25)22-18-8-3-2-4-9-18/h5-7,10-13,18,24H,2-4,8-9H2,1H3,(H,22,25)
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n/an/a 19n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111303
PNG
(US8614253, 43-63 | US9241942, 27-63)
Show SMILES COC(=O)c1ccc(cc1)-c1cc(C=O)c(O)c(c1)N(=O)=O
Show InChI InChI=1S/C15H11NO6/c1-22-15(19)10-4-2-9(3-5-10)11-6-12(8-17)14(18)13(7-11)16(20)21/h2-8,18H,1H3
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
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
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111342
PNG
(US8614253, 29-2 | US9241942, 29-2)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1cccnc1
Show InChI InChI=1S/C16H11NO2/c18-10-15-14-5-3-11(13-2-1-7-17-9-13)8-12(14)4-6-16(15)19/h1-10,19H
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111405
PNG
(US8614253, 38-6 | US9241942, 38-6)
Show SMILES COc1ccc(C\N=C\c2cc(cc(OC)c2O)-c2cccs2)cc1
Show InChI InChI=1S/C20H19NO3S/c1-23-17-7-5-14(6-8-17)12-21-13-16-10-15(19-4-3-9-25-19)11-18(24-2)20(16)22/h3-11,13,22H,12H2,1-2H3/b21-13+
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111358
PNG
(US8614253, 29-18 | US9241942, 29-18)
Show SMILES NC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C18H13NO3/c19-18(22)14-3-1-2-11(9-14)12-4-6-15-13(8-12)5-7-17(21)16(15)10-20/h1-10,21H,(H2,19,22)
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM110971
PNG
(US8614253, 3-2 | US9241942, 3-2 | US9963434, Compo...)
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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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM110970
PNG
(US8614253, 3-1 | US9241942, 3-1 | US9963434, Compo...)
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
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111304
PNG
(US8614253, 43-64 | US9241942, 27-64)
Show SMILES NC(=O)c1cccc(c1)-c1cc(C=O)c(O)c(c1)N(=O)=O
Show InChI InChI=1S/C14H10N2O5/c15-14(19)9-3-1-2-8(4-9)10-5-11(7-17)13(18)12(6-10)16(20)21/h1-7,18H,(H2,15,19)
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111404
PNG
(US8614253, 38-5 | US9241942, 38-5)
Show SMILES COc1cc(cc(\C=N\C2CC2)c1O)-c1cccs1
Show InChI InChI=1S/C15H15NO2S/c1-18-13-8-10(14-3-2-6-19-14)7-11(15(13)17)9-16-12-4-5-12/h2-3,6-9,12,17H,4-5H2,1H3/b16-9+
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111346
PNG
(US8614253, 29-6 | US8614253, 42-4 | US9241942, 42-...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C20H17NO3/c1-21(2)20(24)14-5-3-13(4-6-14)15-7-9-17-16(11-15)8-10-19(23)18(17)12-22/h3-12,23H,1-2H3
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111346
PNG
(US8614253, 29-6 | US8614253, 42-4 | US9241942, 42-...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C20H17NO3/c1-21(2)20(24)14-5-3-13(4-6-14)15-7-9-17-16(11-15)8-10-19(23)18(17)12-22/h3-12,23H,1-2H3
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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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US Patent
n/an/a 39n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111335
PNG
(US8614253, 28-11 | US9241942, 28-9)
Show SMILES COc1ccc(CNC(=O)c2cccc(c2)-c2cc(F)c(O)c(C=O)c2)cc1
Show InChI InChI=1S/C22H18FNO4/c1-28-19-7-5-14(6-8-19)12-24-22(27)16-4-2-3-15(9-16)17-10-18(13-25)21(26)20(23)11-17/h2-11,13,26H,12H2,1H3,(H,24,27)
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n/an/a 40n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
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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n/an/a 40n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
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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n/an/a 42n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(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
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n/an/a 45n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(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
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n/an/a 45n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111282
PNG
(US8614253, 43-42 | US9241942, 27-42)
Show SMILES NC(=O)c1cccc(c1)-c1cc(F)c(O)c(C=O)c1
Show InChI InChI=1S/C14H10FNO3/c15-12-6-10(5-11(7-17)13(12)18)8-2-1-3-9(4-8)14(16)19/h1-7,18H,(H2,16,19)
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n/an/a 46n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
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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n/an/a 46n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111420
PNG
(US8614253, 40-1 | US9241942, 40-1)
Show SMILES NC(=O)c1ccc(Br)c(C=O)c1O
Show InChI InChI=1S/C8H6BrNO3/c9-6-2-1-4(8(10)13)7(12)5(6)3-11/h1-3,12H,(H2,10,13)
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n/an/a 47n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111370
PNG
(US8614253, 32-6 | US9241942, 32-6 | US9493435, 180)
Show SMILES CC(C)NC(=O)c1cccc(n1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C20H18N2O3/c1-12(2)21-20(25)18-5-3-4-17(22-18)14-6-8-15-13(10-14)7-9-19(24)16(15)11-23/h3-12,24H,1-2H3,(H,21,25)
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n/an/a 47n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111373
PNG
(US8614253, 32-9 | US8614253, 42-6 | US9241942, 32-...)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1cccc(n1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C23H23N3O4/c27-15-19-18-6-4-17(14-16(18)5-7-22(19)28)20-2-1-3-21(25-20)23(29)24-8-9-26-10-12-30-13-11-26/h1-7,14-15,28H,8-13H2,(H,24,29)
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n/an/a 48n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111373
PNG
(US8614253, 32-9 | US8614253, 42-6 | US9241942, 32-...)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1cccc(n1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C23H23N3O4/c27-15-19-18-6-4-17(14-16(18)5-7-22(19)28)20-2-1-3-21(25-20)23(29)24-8-9-26-10-12-30-13-11-26/h1-7,14-15,28H,8-13H2,(H,24,29)
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n/an/a 48n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111267
PNG
(US8614253, 43-27 | US9241942, 27-27)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccco1
Show InChI InChI=1S/C12H10O4/c1-15-11-6-8(10-3-2-4-16-10)5-9(7-13)12(11)14/h2-7,14H,1H3
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111305
PNG
(US8614253, 43-65 | US9241942, 27-65)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(C=O)c(O)c(c1)N(=O)=O
Show InChI InChI=1S/C14H10N2O5/c15-14(19)9-3-1-8(2-4-9)10-5-11(7-17)13(18)12(6-10)16(20)21/h1-7,18H,(H2,15,19)
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n/an/a 54n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111334
PNG
(US8614253, 28-10 | US9241942, 28-8)
Show SMILES Oc1ccc(cc1C=O)-c1cccc(c1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C21H24N2O3/c24-15-19-14-17(7-8-20(19)25)16-5-4-6-18(13-16)21(26)22-9-12-23-10-2-1-3-11-23/h4-8,13-15,25H,1-3,9-12H2,(H,22,26)
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n/an/a 66n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111343
PNG
(US8614253, 29-3 | US9241942, 29-3)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1cncnc1
Show InChI InChI=1S/C15H10N2O2/c18-8-14-13-3-1-10(12-6-16-9-17-7-12)5-11(13)2-4-15(14)19/h1-9,19H
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111372
PNG
(US8614253, 32-8 | US9241942, 32-8)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H19NO4/c24-14-20-19-7-5-17(13-18(19)6-8-21(20)25)15-1-3-16(4-2-15)22(26)23-9-11-27-12-10-23/h1-8,13-14,25H,9-12H2
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n/an/a 67n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(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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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
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
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111344
PNG
(US8614253, 29-4 | US9241942, 29-4)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1cccc(c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H19NO4/c24-14-20-19-6-4-16(12-17(19)5-7-21(20)25)15-2-1-3-18(13-15)22(26)23-8-10-27-11-9-23/h1-7,12-14,25H,8-11H2
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111345
PNG
(US8614253, 29-5 | US9241942, 29-5)
Show SMILES OC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C18H12O4/c19-10-16-15-6-4-12(8-13(15)5-7-17(16)20)11-2-1-3-14(9-11)18(21)22/h1-10,20H,(H,21,22)
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MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(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 79n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
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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n/an/a 80n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM110974
PNG
(US8614253, 3-5 | US9241942, 3-5 | US9963434, Compo...)
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/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111269
PNG
(US8614253, 43-29 | US9241942, 27-29)
Show SMILES Oc1c(C=O)cc(cc1N(=O)=O)-c1ccoc1
Show InChI InChI=1S/C11H7NO5/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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n/an/a 81n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
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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n/an/a 82n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111276
PNG
(US8614253, 43-36 | US9241942, 27-36)
Show SMILES COc1cc(cc(C=O)c1O)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C15H13NO4/c1-20-13-7-11(6-12(8-17)14(13)18)9-2-4-10(5-3-9)15(16)19/h2-8,18H,1H3,(H2,16,19)
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n/an/a 82n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111331
PNG
(US8614253, 28-7 | US9241942, 28-7)
Show SMILES Oc1ccc(cc1C=O)-c1cccc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C20H22N2O4/c23-14-18-13-16(4-5-19(18)24)15-2-1-3-17(12-15)20(25)21-6-7-22-8-10-26-11-9-22/h1-5,12-14,24H,6-11H2,(H,21,25)
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n/an/a 84n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


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


(Homo sapiens (Human))		BDBM111314
PNG
(US8614253, 43-74 | US9241942, 27-74)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(F)c(O)c(C=O)c1
Show InChI InChI=1S/C14H10FNO3/c15-12-6-10(5-11(7-17)13(12)18)8-1-3-9(4-2-8)14(16)19/h1-7,18H,(H2,16,19)
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n/an/a 85n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...

US Patent US9241942 (2016)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%