Compile Data Set for Download or QSAR

Found 871 hits with Last Name = 'pallai' and Initial = 'pv'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111368 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111368 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/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 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	n/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 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111376 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111376 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	n/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 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111339 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	n/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 (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-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111406 (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-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/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 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	n/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 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111336 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111336 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	n/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 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	7.5	n/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 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM110983 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	n/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))	BDBM110983 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM110983 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM110983 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	n/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))	BDBM111342 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	n/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))	BDBM111405 (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+	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111342 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111405 (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+	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	n/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))	BDBM111358 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111358 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	7.5	n/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))	BDBM110970 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	n/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))	BDBM110971 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	n/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))	BDBM110971 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM110971 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					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...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q2BK1FQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM110970 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM110970 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					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...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q2BK1FQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111304 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	7.5	n/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))	BDBM111304 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111404 (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+	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.5	n/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 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.5	n/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))	BDBM111404 (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+	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM110972 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111346 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	7.5	n/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))	BDBM111346 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111346 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111346 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	7.5	n/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))	BDBM111247 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	7.5	n/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))	BDBM111247 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111335 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	n/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 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	n/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 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111335 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM110972 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					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...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q2BK1FQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111251 (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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	7.5	n/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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