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Compile Data Set for Download or QSAR

Found 182 hits Enz. Inhib. hit(s) with Target = 'GST-Inositol requiring enzyme 1 (IRE-1alpha)' AND taxid = 9606   
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
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257068
PNG
(US9493435, 86)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C21H27N3O2/c1-22-10-12-24(13-11-22)17-6-8-23(9-7-17)18-3-4-19-16(14-18)2-5-21(26)20(19)15-25/h2-5,14-15,17,26H,6-13H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257067
PNG
(US9493435, 85)
Show SMILES CN(C)C1CCN(CC1)c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C18H22N2O2/c1-19(2)14-7-9-20(10-8-14)15-4-5-16-13(11-15)3-6-18(22)17(16)12-21/h3-6,11-12,14,22H,7-10H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257108
PNG
(US9493435, 126)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(nc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C23H23N3O4/c27-15-20-19-4-1-16(13-17(19)3-6-22(20)28)18-2-5-21(25-14-18)23(29)24-7-8-26-9-11-30-12-10-26/h1-6,13-15,28H,7-12H2,(H,24,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257121
PNG
(US9493435, 139)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C24H24N2O4/c27-16-22-21-7-5-19(15-20(21)6-8-23(22)28)17-1-3-18(4-2-17)24(29)25-9-10-26-11-13-30-14-12-26/h1-8,15-16,28H,9-14H2,(H,25,29)
PDB

UniProtKB/SwissProt
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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257122
PNG
(US9493435, 140)
Show SMILES Cc1nc(sc1C(=O)N1CCCC1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C20H18N2O3S/c1-12-18(20(25)22-8-2-3-9-22)26-19(21-12)14-4-6-15-13(10-14)5-7-17(24)16(15)11-23/h4-7,10-11,24H,2-3,8-9H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257123
PNG
(US9493435, 141)
Show SMILES COCCNC(=O)c1sc(nc1C)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C19H18N2O4S/c1-11-17(18(24)20-7-8-25-2)26-19(21-11)13-3-5-14-12(9-13)4-6-16(23)15(14)10-22/h3-6,9-10,23H,7-8H2,1-2H3,(H,20,24)
PDB

UniProtKB/SwissProt
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DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257124
PNG
(US9493435, 142)
Show SMILES Cc1nc(sc1C(=O)NCCN1CCOCC1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C22H23N3O4S/c1-14-20(21(28)23-6-7-25-8-10-29-11-9-25)30-22(24-14)16-2-4-17-15(12-16)3-5-19(27)18(17)13-26/h2-5,12-13,27H,6-11H2,1H3,(H,23,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257126
PNG
(US9493435, 144)
Show SMILES Cc1nc(sc1C(=O)NC1CCNCC1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C21H21N3O3S/c1-12-19(20(27)24-15-6-8-22-9-7-15)28-21(23-12)14-2-4-16-13(10-14)3-5-18(26)17(16)11-25/h2-5,10-11,15,22,26H,6-9H2,1H3,(H,24,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(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)
PDB

UniProtKB/SwissProt
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DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257150
PNG
(US9493435, 171)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(o1)C(=O)NC1CCCNC1
Show InChI InChI=1S/C21H20N2O4/c24-12-17-16-5-3-14(10-13(16)4-6-18(17)25)19-7-8-20(27-19)21(26)23-15-2-1-9-22-11-15/h3-8,10,12,15,22,25H,1-2,9,11H2,(H,23,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(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)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257160
PNG
(US9493435, 182)
Show SMILES OC(=O)c1ccc(Oc2ccc3c(C=O)c(O)ccc3c2)cc1
Show InChI InChI=1S/C18H12O5/c19-10-16-15-7-6-14(9-12(15)3-8-17(16)20)23-13-4-1-11(2-5-13)18(21)22/h1-10,20H,(H,21,22)
PDB

UniProtKB/SwissProt
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DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM256984
PNG
(US9493435, 1)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1cccc(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C22H19NO3/c24-14-20-19-8-6-16(12-17(19)7-9-21(20)25)15-4-3-5-18(13-15)22(26)23-10-1-2-11-23/h3-9,12-14,25H,1-2,10-11H2
PDB

UniProtKB/SwissProt
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DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM256987
PNG
(US9493435, 4)
Show SMILES COCCNC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C21H19NO4/c1-26-10-9-22-21(25)17-4-2-3-14(12-17)15-5-7-18-16(11-15)6-8-20(24)19(18)13-23/h2-8,11-13,24H,9-10H2,1H3,(H,22,25)
PDB

UniProtKB/SwissProt
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DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM256988
PNG
(US9493435, 5)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C23H22N2O3/c1-24-10-12-25(13-11-24)23(28)17-4-2-16(3-5-17)18-6-8-20-19(14-18)7-9-22(27)21(20)15-26/h2-9,14-15,27H,10-13H2,1H3
PDB

UniProtKB/SwissProt
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DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM256989
PNG
(US9493435, 6)
Show SMILES COCCNC(=O)c1cccc(n1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C20H18N2O4/c1-26-10-9-21-20(25)18-4-2-3-17(22-18)14-5-7-15-13(11-14)6-8-19(24)16(15)12-23/h2-8,11-12,24H,9-10H2,1H3,(H,21,25)
PDB

UniProtKB/SwissProt
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DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM256991
PNG
(US9493435, 8)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C19H15NO3/c1-20-19(23)15-4-2-3-12(10-15)13-5-7-16-14(9-13)6-8-18(22)17(16)11-21/h2-11,22H,1H3,(H,20,23)
PDB

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DrugBank
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PC cid
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM256996
PNG
(US9493435, 13)
Show SMILES CNC(=O)c1cccc(n1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C18H14N2O3/c1-19-18(23)16-4-2-3-15(20-16)12-5-7-13-11(9-12)6-8-17(22)14(13)10-21/h2-10,22H,1H3,(H,19,23)
PDB

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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM256997
PNG
(US9493435, 14)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1cccc(n1)C(=O)N1CCCC1
Show InChI InChI=1S/C21H18N2O3/c24-13-17-16-8-6-15(12-14(16)7-9-20(17)25)18-4-3-5-19(22-18)21(26)23-10-1-2-11-23/h3-9,12-13,25H,1-2,10-11H2
PDB

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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM256999
PNG
(US9493435, 16)
Show SMILES CCCNC(=O)c1cccc(n1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C20H18N2O3/c1-2-10-21-20(25)18-5-3-4-17(22-18)14-6-8-15-13(11-14)7-9-19(24)16(15)12-23/h3-9,11-12,24H,2,10H2,1H3,(H,21,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257002
PNG
(US9493435, 19)
Show SMILES OCc1c(O)ccc2cc(ccc12)-c1cc(ccc1Cl)C(O)=O
Show InChI InChI=1S/C18H13ClO4/c19-16-5-2-12(18(22)23)8-14(16)11-1-4-13-10(7-11)3-6-17(21)15(13)9-20/h1-8,20-21H,9H2,(H,22,23)
PDB

UniProtKB/SwissProt
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DrugBank
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AffyNet 
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PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257004
PNG
(US9493435, 21)
Show SMILES Cc1cc(sc1-c1ccc2c(CO)c(O)ccc2c1)C(O)=O
Show InChI InChI=1S/C17H14O4S/c1-9-6-15(17(20)21)22-16(9)11-2-4-12-10(7-11)3-5-14(19)13(12)8-18/h2-7,18-19H,8H2,1H3,(H,20,21)
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257008
PNG
(US9493435, 25)
Show SMILES Cc1cc(sc1-c1ccc2c(C=O)c(O)ccc2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H19NO4S/c1-13-10-19(21(25)22-6-8-26-9-7-22)27-20(13)15-2-4-16-14(11-15)3-5-18(24)17(16)12-23/h2-5,10-12,24H,6-9H2,1H3
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257014
PNG
(US9493435, 31)
Show SMILES CN(C)C(=O)\C=C\c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C16H15NO3/c1-17(2)16(20)8-4-11-3-6-13-12(9-11)5-7-15(19)14(13)10-18/h3-10,19H,1-2H3/b8-4+
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257015
PNG
(US9493435, 32)
Show SMILES Oc1ccc2cc(\C=C\C(=O)N3CCOCC3)ccc2c1C=O
Show InChI InChI=1S/C18H17NO4/c20-12-16-15-4-1-13(11-14(15)3-5-17(16)21)2-6-18(22)19-7-9-23-10-8-19/h1-6,11-12,21H,7-10H2/b6-2+
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257016
PNG
(US9493435, 33)
Show SMILES CN(C)C(=O)c1cc(C)c(s1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C19H17NO3S/c1-11-8-17(19(23)20(2)3)24-18(11)13-4-6-14-12(9-13)5-7-16(22)15(14)10-21/h4-10,22H,1-3H3
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257017
PNG
(US9493435, 34)
Show SMILES CN1CCN(CC1)C(=O)c1cc(C)c(s1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C22H22N2O3S/c1-14-11-20(22(27)24-9-7-23(2)8-10-24)28-21(14)16-3-5-17-15(12-16)4-6-19(26)18(17)13-25/h3-6,11-13,26H,7-10H2,1-2H3
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257018
PNG
(US9493435, 35)
Show SMILES CN(C)C(=O)c1ccc(o1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C18H15NO4/c1-19(2)18(22)17-8-7-16(23-17)12-3-5-13-11(9-12)4-6-15(21)14(13)10-20/h3-10,21H,1-2H3
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257019
PNG
(US9493435, 36)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(s1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C22H22N2O4S/c25-14-18-17-3-1-16(13-15(17)2-4-19(18)26)20-5-6-21(29-20)22(27)23-7-8-24-9-11-28-12-10-24/h1-6,13-14,26H,7-12H2,(H,23,27)
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257020
PNG
(US9493435, 37)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(s1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C23H24N2O4S/c26-15-19-18-4-2-17(14-16(18)3-5-20(19)27)21-6-7-22(30-21)23(28)24-8-1-9-25-10-12-29-13-11-25/h2-7,14-15,27H,1,8-13H2,(H,24,28)
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257024
PNG
(US9493435, 41)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(s1)C(=O)NCC1CCCCN1
Show InChI InChI=1S/C22H22N2O3S/c25-13-18-17-6-4-15(11-14(17)5-7-19(18)26)20-8-9-21(28-20)22(27)24-12-16-3-1-2-10-23-16/h4-9,11,13,16,23,26H,1-3,10,12H2,(H,24,27)
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257025
PNG
(US9493435, 42)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(s1)C(=O)NCC1CCCNC1
Show InChI InChI=1S/C22H22N2O3S/c25-13-18-17-5-3-16(10-15(17)4-6-19(18)26)20-7-8-21(28-20)22(27)24-12-14-2-1-9-23-11-14/h3-8,10,13-14,23,26H,1-2,9,11-12H2,(H,24,27)
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257026
PNG
(US9493435, 43)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(s1)C(=O)NCC1CCNCC1
Show InChI InChI=1S/C22H22N2O3S/c25-13-18-17-3-1-16(11-15(17)2-4-19(18)26)20-5-6-21(28-20)22(27)24-12-14-7-9-23-10-8-14/h1-6,11,13-14,23,26H,7-10,12H2,(H,24,27)
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257029
PNG
(US9493435, 46)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(s1)C(=O)NC1CCNCC1
Show InChI InChI=1S/C21H20N2O3S/c24-12-17-16-3-1-14(11-13(16)2-4-18(17)25)19-5-6-20(27-19)21(26)23-15-7-9-22-10-8-15/h1-6,11-12,15,22,25H,7-10H2,(H,23,26)
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257030
PNG
(US9493435, 47)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(s1)C(=O)NC1CCCNC1
Show InChI InChI=1S/C21H20N2O3S/c24-12-17-16-5-3-14(10-13(16)4-6-18(17)25)19-7-8-20(27-19)21(26)23-15-2-1-9-22-11-15/h3-8,10,12,15,22,25H,1-2,9,11H2,(H,23,26)
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257031
PNG
(US9493435, 48)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(cc1)C(=O)NC1CCNCC1
Show InChI InChI=1S/C23H22N2O3/c26-14-21-20-7-5-17(13-18(20)6-8-22(21)27)15-1-3-16(4-2-15)23(28)25-19-9-11-24-12-10-19/h1-8,13-14,19,24,27H,9-12H2,(H,25,28)
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257032
PNG
(US9493435, 49)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(cc1)C(=O)NC1CCCNC1
Show InChI InChI=1S/C23H22N2O3/c26-14-21-20-9-7-17(12-18(20)8-10-22(21)27)15-3-5-16(6-4-15)23(28)25-19-2-1-11-24-13-19/h3-10,12,14,19,24,27H,1-2,11,13H2,(H,25,28)
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257042
PNG
(US9493435, 60)
Show SMILES CN1CCN(CC1)C(=O)c1csc(n1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C20H19N3O3S/c1-22-6-8-23(9-7-22)20(26)17-12-27-19(21-17)14-2-4-15-13(10-14)3-5-18(25)16(15)11-24/h2-5,10-12,25H,6-9H2,1H3
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257043
PNG
(US9493435, 61)
Show SMILES CN1CCN(CC1)C(=O)c1cnc(s1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C20H19N3O3S/c1-22-6-8-23(9-7-22)20(26)18-11-21-19(27-18)14-2-4-15-13(10-14)3-5-17(25)16(15)12-24/h2-5,10-12,25H,6-9H2,1H3
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257044
PNG
(US9493435, 62)
Show SMILES CN1CCCCC1CNC(=O)c1ccc(s1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C23H24N2O3S/c1-25-11-3-2-4-17(25)13-24-23(28)22-10-9-21(29-22)16-5-7-18-15(12-16)6-8-20(27)19(18)14-26/h5-10,12,14,17,27H,2-4,11,13H2,1H3,(H,24,28)
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257047
PNG
(US9493435, 65)
Show SMILES CN1CCN(CC1)C(=O)c1sc(nc1C)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C21H21N3O3S/c1-13-19(21(27)24-9-7-23(2)8-10-24)28-20(22-13)15-3-5-16-14(11-15)4-6-18(26)17(16)12-25/h3-6,11-12,26H,7-10H2,1-2H3
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257051
PNG
(US9493435, 69)
Show SMILES CN1CCCC(CNC(=O)c2ccc(s2)-c2ccc3c(C=O)c(O)ccc3c2)C1
Show InChI InChI=1S/C23H24N2O3S/c1-25-10-2-3-15(13-25)12-24-23(28)22-9-8-21(29-22)17-4-6-18-16(11-17)5-7-20(27)19(18)14-26/h4-9,11,14-15,27H,2-3,10,12-13H2,1H3,(H,24,28)
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MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257053
PNG
(US9493435, 71)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(o1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C22H22N2O5/c25-14-18-17-3-1-16(13-15(17)2-4-19(18)26)20-5-6-21(29-20)22(27)23-7-8-24-9-11-28-12-10-24/h1-6,13-14,26H,7-12H2,(H,23,27)
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US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257054
PNG
(US9493435, 72)
Show SMILES CN(C)CCNC(=O)c1ccc(s1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C20H20N2O3S/c1-22(2)10-9-21-20(25)19-8-7-18(26-19)14-3-5-15-13(11-14)4-6-17(24)16(15)12-23/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,25)
PDB

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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257055
PNG
(US9493435, 73)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(s1)C(=O)NC1CCNC1
Show InChI InChI=1S/C20H18N2O3S/c23-11-16-15-3-1-13(9-12(15)2-4-17(16)24)18-5-6-19(26-18)20(25)22-14-7-8-21-10-14/h1-6,9,11,14,21,24H,7-8,10H2,(H,22,25)
PDB

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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257057
PNG
(US9493435, 75)
Show SMILES Oc1ccc2cc(ccc2c1C=O)-c1ccc(s1)C(=O)N1CC2CC1CN2
Show InChI InChI=1S/C21H18N2O3S/c24-11-17-16-3-1-13(7-12(16)2-4-18(17)25)19-5-6-20(27-19)21(26)23-10-14-8-15(23)9-22-14/h1-7,11,14-15,22,25H,8-10H2
PDB

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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257060
PNG
(US9493435, 78)
Show SMILES CN1CCCC(C1)NC(=O)c1ccc(s1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C22H22N2O3S/c1-24-10-2-3-16(12-24)23-22(27)21-9-8-20(28-21)15-4-6-17-14(11-15)5-7-19(26)18(17)13-25/h4-9,11,13,16,26H,2-3,10,12H2,1H3,(H,23,27)
PDB

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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257061
PNG
(US9493435, 79)
Show SMILES CN1CCC(C1)NC(=O)c1ccc(s1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C21H20N2O3S/c1-23-9-8-15(11-23)22-21(26)20-7-6-19(27-20)14-2-4-16-13(10-14)3-5-18(25)17(16)12-24/h2-7,10,12,15,25H,8-9,11H2,1H3,(H,22,26)
PDB

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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257062
PNG
(US9493435, 80)
Show SMILES CN1CCN(CC1)c1ncc(cn1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C20H20N4O2/c1-23-6-8-24(9-7-23)20-21-11-16(12-22-20)14-2-4-17-15(10-14)3-5-19(26)18(17)13-25/h2-5,10-13,26H,6-9H2,1H3
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257091
PNG
(US9493435, 109)
Show SMILES Cc1nc(sc1C(=O)N1CCOCC1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C20H18N2O4S/c1-12-18(20(25)22-6-8-26-9-7-22)27-19(21-12)14-2-4-15-13(10-14)3-5-17(24)16(15)11-23/h2-5,10-11,24H,6-9H2,1H3
PDB

UniProtKB/SwissProt
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DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MannKing Corporation

US Patent


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


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair
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