Compile Data Set for Download or QSAR

Found 1424 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha'   

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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	Purchase 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 Alpha (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	Purchase 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 Alpha (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	Purchase 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 Alpha (Homo sapiens (Human))	BDBM50043705 (CHEMBL3356002) Show SMILES Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 Show InChI InChI=1S/C32H30N8O/c1-20-18-28(40-32-38-26-12-4-5-13-27(26)39-32)22-9-2-3-10-23(22)29(20)41-30-24(11-7-16-34-30)25-14-17-35-31(37-25)36-21-8-6-15-33-19-21/h2-5,7,9-14,16-18,21,33H,6,8,15,19H2,1H3,(H,35,36,37)(H2,38,39,40)/t21-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay				ACS Med Chem Lett 6: 68-72 (2015) Article DOI: 10.1021/ml500315b BindingDB Entry DOI: 10.7270/Q2DF6STC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (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	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 Alpha (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	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 Alpha (Homo sapiens (Human))	BDBM50043704 (CHEMBL3356001) Show SMILES Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 Show InChI InChI=1S/C33H32N8O/c1-20-19-29(41-33-39-27-10-4-5-11-28(27)40-33)23-7-2-3-8-24(23)30(20)42-31-25(9-6-17-35-31)26-16-18-36-32(38-26)37-22-14-12-21(34)13-15-22/h2-11,16-19,21-22H,12-15,34H2,1H3,(H,36,37,38)(H2,39,40,41)/t21-,22-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay				ACS Med Chem Lett 6: 68-72 (2015) Article DOI: 10.1021/ml500315b BindingDB Entry DOI: 10.7270/Q2DF6STC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human))	BDBM50043769 (CHEMBL3355998) Show SMILES C1CNC[C@H](C1)Nc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C31H28N8O/c1-2-9-22-21(8-1)24(37-31-38-26-11-3-4-12-27(26)39-31)13-14-28(22)40-29-23(10-6-17-33-29)25-15-18-34-30(36-25)35-20-7-5-16-32-19-20/h1-4,6,8-15,17-18,20,32H,5,7,16,19H2,(H,34,35,36)(H2,37,38,39)/t20-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay				ACS Med Chem Lett 6: 68-72 (2015) Article DOI: 10.1021/ml500315b BindingDB Entry DOI: 10.7270/Q2DF6STC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human))	BDBM50043768 (CHEMBL3355999) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C32H30N8O/c33-20-11-13-21(14-12-20)36-31-35-19-17-26(37-31)24-8-5-18-34-30(24)41-29-16-15-25(22-6-1-2-7-23(22)29)38-32-39-27-9-3-4-10-28(27)40-32/h1-10,15-21H,11-14,33H2,(H,35,36,37)(H2,38,39,40)/t20-,21-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay				ACS Med Chem Lett 6: 68-72 (2015) Article DOI: 10.1021/ml500315b BindingDB Entry DOI: 10.7270/Q2DF6STC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human))	BDBM50043709 (CHEMBL3356006) Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2C#N)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 Show InChI InChI=1S/C33H31N7O3S/c1-21-19-29(40-44(41,42)30-11-5-2-7-22(30)20-34)25-8-3-4-9-26(25)31(21)43-32-27(10-6-17-36-32)28-16-18-37-33(39-28)38-24-14-12-23(35)13-15-24/h2-11,16-19,23-24,40H,12-15,35H2,1H3,(H,37,38,39)/t23-,24-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay				ACS Med Chem Lett 6: 68-72 (2015) Article DOI: 10.1021/ml500315b BindingDB Entry DOI: 10.7270/Q2DF6STC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human))	BDBM50043766 (CHEMBL3356009) Show SMILES Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 Show InChI InChI=1S/C31H29ClN6O3S/c1-20-13-14-22-23(8-4-11-27(22)38-42(39,40)28-12-3-2-10-25(28)32)29(20)41-30-24(9-6-17-34-30)26-15-18-35-31(37-26)36-21-7-5-16-33-19-21/h2-4,6,8-15,17-18,21,33,38H,5,7,16,19H2,1H3,(H,35,36,37)/t21-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay				ACS Med Chem Lett 6: 68-72 (2015) Article DOI: 10.1021/ml500315b BindingDB Entry DOI: 10.7270/Q2DF6STC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human))	BDBM50043706 (CHEMBL3356003) Show SMILES Cc1cc(Nc2nc3ccccc3o2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 Show InChI InChI=1S/C33H31N7O2/c1-20-19-28(40-33-39-27-10-4-5-11-29(27)41-33)23-7-2-3-8-24(23)30(20)42-31-25(9-6-17-35-31)26-16-18-36-32(38-26)37-22-14-12-21(34)13-15-22/h2-11,16-19,21-22H,12-15,34H2,1H3,(H,39,40)(H,36,37,38)/t21-,22-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay				ACS Med Chem Lett 6: 68-72 (2015) Article DOI: 10.1021/ml500315b BindingDB Entry DOI: 10.7270/Q2DF6STC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human))	BDBM50043776 (CHEMBL3355993) Show SMILES CN(C)CCNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C31H30N8O/c1-20-19-27(38-31-36-25-12-6-7-13-26(25)37-31)21-9-4-5-10-22(21)28(20)40-29-23(11-8-15-32-29)24-14-16-33-30(35-24)34-17-18-39(2)3/h4-16,19H,17-18H2,1-3H3,(H,33,34,35)(H2,36,37,38)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay				ACS Med Chem Lett 6: 68-72 (2015) Article DOI: 10.1021/ml500315b BindingDB Entry DOI: 10.7270/Q2DF6STC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human))	BDBM50043710 (CHEMBL3356007) Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2Cl)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 Show InChI InChI=1S/C32H31ClN6O3S/c1-20-19-28(39-43(40,41)29-11-5-4-10-26(29)33)23-7-2-3-8-24(23)30(20)42-31-25(9-6-17-35-31)27-16-18-36-32(38-27)37-22-14-12-21(34)13-15-22/h2-11,16-19,21-22,39H,12-15,34H2,1H3,(H,36,37,38)/t21-,22-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay				ACS Med Chem Lett 6: 68-72 (2015) Article DOI: 10.1021/ml500315b BindingDB Entry DOI: 10.7270/Q2DF6STC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (Homo sapiens (Human))	BDBM50043726 (CHEMBL3356008) Show SMILES Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 Show InChI InChI=1S/C32H31ClN6O3S/c1-20-11-16-23-24(6-4-9-28(23)39-43(40,41)29-10-3-2-8-26(29)33)30(20)42-31-25(7-5-18-35-31)27-17-19-36-32(38-27)37-22-14-12-21(34)13-15-22/h2-11,16-19,21-22,39H,12-15,34H2,1H3,(H,36,37,38)/t21-,22-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay				ACS Med Chem Lett 6: 68-72 (2015) Article DOI: 10.1021/ml500315b BindingDB Entry DOI: 10.7270/Q2DF6STC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (Homo sapiens (Human))	BDBM50043771 (CHEMBL3355996) Show SMILES CN1CCCC(C1)Nc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C32H30N8O/c1-40-19-7-8-21(20-40)35-31-34-18-16-26(36-31)24-11-6-17-33-30(24)41-29-15-14-25(22-9-2-3-10-23(22)29)37-32-38-27-12-4-5-13-28(27)39-32/h2-6,9-18,21H,7-8,19-20H2,1H3,(H,34,35,36)(H2,37,38,39)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay				ACS Med Chem Lett 6: 68-72 (2015) Article DOI: 10.1021/ml500315b BindingDB Entry DOI: 10.7270/Q2DF6STC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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
FOSUN ORINOVE PHARMATECH, INC. 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 US9981901 (2018) BindingDB Entry DOI: 10.7270/Q2BK1FQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (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	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 Alpha (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	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
FOSUN ORINOVE PHARMATECH, INC. 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 US9981901 (2018) BindingDB Entry DOI: 10.7270/Q2BK1FQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human))	BDBM50043767 (CHEMBL3356010) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cccnc1Oc1ccc(NS(=O)(=O)c2ccccc2Cl)c2ccccc12 Show InChI InChI=1S/C31H29ClN6O3S/c32-25-9-3-4-10-29(25)42(39,40)38-27-15-16-28(23-7-2-1-6-22(23)27)41-30-24(8-5-18-34-30)26-17-19-35-31(37-26)36-21-13-11-20(33)12-14-21/h1-10,15-21,38H,11-14,33H2,(H,35,36,37)/t20-,21-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay				ACS Med Chem Lett 6: 68-72 (2015) Article DOI: 10.1021/ml500315b BindingDB Entry DOI: 10.7270/Q2DF6STC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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 Alpha (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	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

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