Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'tan' and Initial = 'ch'   

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))	BDBM50013820 (CHEMBL3265274 | US10323013, Compound 34) Show SMILES NC(=N)N1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21 Show InChI InChI=1S/C14H13N3O4/c15-14(16)17-4-3-7-8-1-2-11(19)10(6-18)12(8)21-13(20)9(7)5-17/h1-2,6,19H,3-5H2,(H3,15,16)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013802 (CHEMBL3265261 | US10323013, Compound 21b) Show SMILES Oc1ccc2c3CCN(Cc3c(=O)oc2c1C=O)C(=O)OCC=C Show InChI InChI=1S/C17H15NO6/c1-2-7-23-17(22)18-6-5-10-11-3-4-14(20)13(9-19)15(11)24-16(21)12(10)8-18/h2-4,9,20H,1,5-8H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013817 (CHEMBL3265271 | US10323013, Compound 31) Show SMILES Oc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1C=O Show InChI InChI=1S/C20H17NO4/c22-12-17-18(23)7-6-15-14-8-9-21(10-13-4-2-1-3-5-13)11-16(14)20(24)25-19(15)17/h1-7,12,23H,8-11H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013831 (CHEMBL3265285) Show SMILES Oc1ccc2c(CCCCNC(=O)OCC=C)cc(=O)oc2c1C=O Show InChI InChI=1S/C18H19NO6/c1-2-9-24-18(23)19-8-4-3-5-12-10-16(22)25-17-13(12)6-7-15(21)14(17)11-20/h2,6-7,10-11,21H,1,3-5,8-9H2,(H,19,23)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013832 (CHEMBL3265286) Show SMILES Oc1ccc2c3CCCN(Cc3c(=O)oc2c1C=O)C(=O)OCC=C Show InChI InChI=1S/C18H17NO6/c1-2-8-24-18(23)19-7-3-4-11-12-5-6-15(21)14(10-20)16(12)25-17(22)13(11)9-19/h2,5-6,10,21H,1,3-4,7-9H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013833 (CHEMBL3265287) Show SMILES Oc1ccc2c3CCCCN(Cc3c(=O)oc2c1C=O)C(=O)OCC=C Show InChI InChI=1S/C19H19NO6/c1-2-9-25-19(24)20-8-4-3-5-12-13-6-7-16(22)15(11-21)17(13)26-18(23)14(12)10-20/h2,6-7,11,22H,1,3-5,8-10H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013830 (CHEMBL3265284) Show SMILES Oc1ccc2c(CCCNC(=O)OCC=C)cc(=O)oc2c1C=O Show InChI InChI=1S/C17H17NO6/c1-2-8-23-17(22)18-7-3-4-11-9-15(21)24-16-12(11)5-6-14(20)13(16)10-19/h2,5-6,9-10,20H,1,3-4,7-8H2,(H,18,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013814 (CHEMBL3265270 | US10323013, Compound 30) Show SMILES CN1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21 Show InChI InChI=1S/C14H13NO4/c1-15-5-4-8-9-2-3-12(17)11(7-16)13(9)19-14(18)10(8)6-15/h2-3,7,17H,4-6H2,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013795 (CHEMBL272357) Show SMILES Cc1cc(=O)oc2c(C=O)c(O)ccc12 Show InChI InChI=1S/C11H8O4/c1-6-4-10(14)15-11-7(6)2-3-9(13)8(11)5-12/h2-5,13H,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013819 (CHEMBL3265273 | US10323013, Compound 33) Show SMILES CC(=C)CN1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21 Show InChI InChI=1S/C17H17NO4/c1-10(2)7-18-6-5-11-12-3-4-15(20)14(9-19)16(12)22-17(21)13(11)8-18/h3-4,9,20H,1,5-8H2,2H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013829 (CHEMBL3265283) Show SMILES Oc1ccc2c(CCNC(=O)OCC=C)cc(=O)oc2c1C=O Show InChI InChI=1S/C16H15NO6/c1-2-7-22-16(21)17-6-5-10-8-14(20)23-15-11(10)3-4-13(19)12(15)9-18/h2-4,8-9,19H,1,5-7H2,(H,17,21)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013818 (CHEMBL3265272 | US10323013, Compound 32) Show SMILES Oc1ccc2c3CCN(Cc4ccc(F)cc4)Cc3c(=O)oc2c1C=O Show InChI InChI=1S/C20H16FNO4/c21-13-3-1-12(2-4-13)9-22-8-7-14-15-5-6-18(24)17(11-23)19(15)26-20(25)16(14)10-22/h1-6,11,24H,7-10H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013813 (CHEMBL3265269 | US10323013, Compound 29) Show SMILES CC(=O)N1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21 Show InChI InChI=1S/C15H13NO5/c1-8(18)16-5-4-9-10-2-3-13(19)12(7-17)14(10)21-15(20)11(9)6-16/h2-3,7,19H,4-6H2,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013828 (CHEMBL3265282) Show SMILES Oc1ccc2c(CNC(=O)OCC=C)cc(=O)oc2c1C=O Show InChI InChI=1S/C15H13NO6/c1-2-5-21-15(20)16-7-9-6-13(19)22-14-10(9)3-4-12(18)11(14)8-17/h2-4,6,8,18H,1,5,7H2,(H,16,20)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	472	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013812 (CHEMBL3265268 | US10323013, Compound 28) Show SMILES Oc1ccc2c3CCNCc3c(=O)oc2c1C1OCCCO1 Show InChI InChI=1S/C16H17NO5/c18-12-3-2-10-9-4-5-17-8-11(9)15(19)22-14(10)13(12)16-20-6-1-7-21-16/h2-3,16-18H,1,4-8H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013823 (CHEMBL3265277) Show SMILES CCOC(=O)\C=C\c1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C Show InChI InChI=1S/C21H21NO7/c1-3-11-28-21(26)22-10-9-13-14-5-7-17(23)15(6-8-18(24)27-4-2)19(14)29-20(25)16(13)12-22/h3,5-8,23H,1,4,9-12H2,2H3/b8-6+	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
HTH-type quorum-sensing regulator RhlR (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50470115 (CHEMBL4098007) Show SMILES C=CCSSc1nc2ccccc2s1 Show InChI InChI=1S/C10H9NS3/c1-2-7-12-14-10-11-8-5-3-4-6-9(8)13-10/h2-6H,1,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Technological University Curated by ChEMBL					Assay Description Inhibition of quorum sensing regulator protein RhlR in Pseudomonas aeruginosa PAO1 harboring reporter plasmid rhlA-gfp assessed as reduction in rhlA ...				J Med Chem 60: 215-227 (2017) Article DOI: 10.1021/acs.jmedchem.6b01025 BindingDB Entry DOI: 10.7270/Q2125WC6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013807 (CHEMBL3265264 | US10323013, Compound 24) Show SMILES Oc1ccc2c3CCN(Cc3c(=O)oc2c1C1OCCCO1)C(=O)OCC=C Show InChI InChI=1S/C20H21NO7/c1-2-8-27-20(24)21-7-6-12-13-4-5-15(22)16(19-25-9-3-10-26-19)17(13)28-18(23)14(12)11-21/h2,4-5,19,22H,1,3,6-11H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013825 (CHEMBL3265279 | US10323013, Compound 40) Show SMILES OC(=O)c1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C Show InChI InChI=1S/C17H15NO7/c1-2-7-24-17(23)18-6-5-9-10-3-4-12(19)13(15(20)21)14(10)25-16(22)11(9)8-18/h2-4,19H,1,5-8H2,(H,20,21)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013826 (CHEMBL3265280) Show SMILES COC(=O)c1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C Show InChI InChI=1S/C18H17NO7/c1-3-8-25-18(23)19-7-6-10-11-4-5-13(20)14(17(22)24-2)15(11)26-16(21)12(10)9-19/h3-5,20H,1,6-9H2,2H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013794 (CHEMBL3265255) Show SMILES Oc1ccc2ccccc2c1C=O Show InChI InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013793 (CHEMBL3192687) Show SMILES Oc1ccc2ccccc2c1\C=N\S(=O)(=O)c1cccs1 Show InChI InChI=1S/C15H11NO3S2/c17-14-8-7-11-4-1-2-5-12(11)13(14)10-16-21(18,19)15-6-3-9-20-15/h1-10,17H/b16-10+	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Lecithin retinol acyltransferase (Homo sapiens (Human))	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...) Show SMILES NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated ...				Bioorg Med Chem Lett 13: 901-3 (2003) BindingDB Entry DOI: 10.7270/Q2ZC83DR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013808 (CHEMBL3265265 | US10323013, Compound 25) Show SMILES Oc1ccc2c3CCN(Cc3c(=O)oc2c1C1SCCCS1)C(=O)OCC=C Show InChI InChI=1S/C20H21NO5S2/c1-2-8-25-20(24)21-7-6-12-13-4-5-15(22)16(19-27-9-3-10-28-19)17(13)26-18(23)14(12)11-21/h2,4-5,19,22H,1,3,6-11H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50139367 (2-hydroxybenzaldehyde | CHEMBL108925 | Salicylalde...) Show SMILES Oc1ccccc1C=O Show InChI InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111000 (US8614253, 3-31 | US9241942, 3-31 | US9963434, Com...) Show SMILES Oc1c(Br)cc(Br)cc1C=O Show InChI InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013798 (CHEMBL212070) Show SMILES Oc1c(C=O)cc2CCCN3CCCc1c23 Show InChI InChI=1S/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013797 (CHEMBL3265257) Show SMILES Oc1ccc2ccccc2c1CNS(=O)(=O)c1cccs1 Show InChI InChI=1S/C15H13NO3S2/c17-14-8-7-11-4-1-2-5-12(11)13(14)10-16-21(18,19)15-6-3-9-20-15/h1-9,16-17H,10H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013796 (CHEBI:79403 | CHEMBL3265256) Show SMILES NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013821 (CHEMBL3265275 | US10323013, Compound 35) Show SMILES COCOc1ccc2c3CCN(Cc3c(=O)oc2c1C=O)C(=O)OCC=C Show InChI InChI=1S/C19H19NO7/c1-3-8-25-19(23)20-7-6-12-13-4-5-16(26-11-24-2)15(10-21)17(13)27-18(22)14(12)9-20/h3-5,10H,1,6-9,11H2,2H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013822 (CHEMBL3265276 | US10323013, Compound 36) Show SMILES CC(=O)c1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C Show InChI InChI=1S/C18H17NO6/c1-3-8-24-18(23)19-7-6-11-12-4-5-14(21)15(10(2)20)16(12)25-17(22)13(11)9-19/h3-5,21H,1,6-9H2,2H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013824 (CHEMBL3265278) Show SMILES CS(=O)(=O)\C=C\c1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C Show InChI InChI=1S/C19H19NO7S/c1-3-9-26-19(23)20-8-6-12-13-4-5-16(21)14(7-10-28(2,24)25)17(13)27-18(22)15(12)11-20/h3-5,7,10,21H,1,6,8-9,11H2,2H3/b10-7+	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013827 (CHEMBL3265281 | US10323013, Compound 42) Show SMILES CON(C)C(=O)c1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C Show InChI InChI=1S/C19H20N2O7/c1-4-9-27-19(25)21-8-7-11-12-5-6-14(22)15(17(23)20(2)26-3)16(12)28-18(24)13(11)10-21/h4-6,22H,1,7-10H2,2-3H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111341 (US8614253, 29-1 | US9241942, 29-1) Show SMILES COC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1 Show InChI InChI=1S/C19H14O4/c1-23-19(22)15-4-2-3-12(10-15)13-5-7-16-14(9-13)6-8-18(21)17(16)11-20/h2-11,21H,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013810 (CHEMBL3265267 | US10323013, Compound 27) Show SMILES C=CCOC(=O)N1CCc2c(C1)c(=O)oc1c(C=O)c(OCc3ccccc3)ccc21 Show InChI InChI=1S/C24H21NO6/c1-2-12-29-24(28)25-11-10-17-18-8-9-21(30-15-16-6-4-3-5-7-16)20(14-26)22(18)31-23(27)19(17)13-25/h2-9,14H,1,10-13,15H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013809 (CHEMBL3265266 | US10323013, Compound 26) Show SMILES COc1ccc2c3CCN(Cc3c(=O)oc2c1C=O)C(=O)OCC=C Show InChI InChI=1S/C18H17NO6/c1-3-8-24-18(22)19-7-6-11-12-4-5-15(23-2)14(10-20)16(12)25-17(21)13(11)9-19/h3-5,10H,1,6-9H2,2H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013806 (CHEMBL3265263) Show SMILES Oc1ccc2c3CCN(Cc3c(=O)oc2c1CCl)C(=O)OCC=C Show InChI InChI=1S/C17H16ClNO5/c1-2-7-23-17(22)19-6-5-10-11-3-4-14(20)12(8-18)15(11)24-16(21)13(10)9-19/h2-4,20H,1,5-9H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013803 (CHEMBL3265262 | US10323013, Compound 22) Show SMILES OCc1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C Show InChI InChI=1S/C17H17NO6/c1-2-7-23-17(22)18-6-5-10-11-3-4-14(20)13(9-19)15(11)24-16(21)12(10)8-18/h2-4,19-20H,1,5-9H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013800 (CHEMBL3265259) Show SMILES COc1ccc2ccccc2c1C=O Show InChI InChI=1S/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013801 (CHEBI:52367 | CHEMBL3265260) Show SMILES O=Cc1cccc2ccccc12 Show InChI InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013799 (CHEMBL2269234) Show SMILES OC(=O)c1c(O)ccc2ccccc12 Show InChI InChI=1S/C11H8O3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H,(H,13,14)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Lecithin retinol acyltransferase (Homo sapiens (Human))	BDBM8580 ((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...) Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated ...				Bioorg Med Chem Lett 13: 901-3 (2003) BindingDB Entry DOI: 10.7270/Q2ZC83DR
					More data for this Ligand-Target Pair
Lecithin retinol acyltransferase (Homo sapiens (Human))	BDBM8580 ((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...) Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated ...				Bioorg Med Chem Lett 13: 901-3 (2003) BindingDB Entry DOI: 10.7270/Q2ZC83DR
					More data for this Ligand-Target Pair
HTH-type quorum-sensing regulator RhlR (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50240785 ((E)-1-Allyldisulfanyl-3-(prop-2-ene-1-sulfinyl)-pr...) Show SMILES C=CCSS\C=C\CS(=O)CC=C Show InChI InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Technological University Curated by ChEMBL					Assay Description Inhibition of quorum sensing regulator protein RhlR in Pseudomonas aeruginosa PAO1 harboring reporter plasmid rhlA-gfp assessed as reduction in rhlA ...				J Med Chem 60: 215-227 (2017) Article DOI: 10.1021/acs.jmedchem.6b01025 BindingDB Entry DOI: 10.7270/Q2125WC6
					More data for this Ligand-Target Pair
Lecithin retinol acyltransferase (Homo sapiens (Human))	BDBM8580 ((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...) Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated ...				Bioorg Med Chem Lett 13: 901-3 (2003) BindingDB Entry DOI: 10.7270/Q2ZC83DR
					More data for this Ligand-Target Pair
Lecithin retinol acyltransferase (Homo sapiens (Human))	BDBM8580 ((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...) Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated ...				Bioorg Med Chem Lett 13: 901-3 (2003) BindingDB Entry DOI: 10.7270/Q2ZC83DR
					More data for this Ligand-Target Pair
Lecithin retinol acyltransferase (Homo sapiens (Human))	BDBM50124304 (5-Amino-2-aminomethyl-6-(3,5-diamino-2,6-dihydroxy...) Show SMILES NCC1OC(OC2C(O)C(N)CC(N)C2O)C(N)C(O)C1O Show InChI InChI=1S/C12H26N4O6/c13-2-5-9(19)10(20)6(16)12(21-5)22-11-7(17)3(14)1-4(15)8(11)18/h3-12,17-20H,1-2,13-16H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated ...				Bioorg Med Chem Lett 13: 901-3 (2003) BindingDB Entry DOI: 10.7270/Q2ZC83DR
					More data for this Ligand-Target Pair
Lecithin retinol acyltransferase (Homo sapiens (Human))	BDBM50124304 (5-Amino-2-aminomethyl-6-(3,5-diamino-2,6-dihydroxy...) Show SMILES NCC1OC(OC2C(O)C(N)CC(N)C2O)C(N)C(O)C1O Show InChI InChI=1S/C12H26N4O6/c13-2-5-9(19)10(20)6(16)12(21-5)22-11-7(17)3(14)1-4(15)8(11)18/h3-12,17-20H,1-2,13-16H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated ...				Bioorg Med Chem Lett 13: 901-3 (2003) BindingDB Entry DOI: 10.7270/Q2ZC83DR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50013814 (CHEMBL3265270 | US10323013, Compound 30) Show SMILES CN1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21 Show InChI InChI=1S/C14H13NO4/c1-15-5-4-8-9-2-3-12(17)11(7-16)13(9)19-14(18)10(8)6-15/h2-3,7,17H,4-6H2,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a
The Wistar Institute Curated by ChEMBL					Assay Description Binding affinity to human polyhisitdine-tagged/puritin-fused IRE1 by surface plasmon resonance analysis				J Med Chem 62: 5404-5413 (2019) Article DOI: 10.1021/acs.jmedchem.9b00269 BindingDB Entry DOI: 10.7270/Q25B05Q3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50501937 (CHEMBL4524928) Show SMILES Oc1ccc2c3CCNCc3c(=O)oc2c1C=O Show InChI InChI=1S/C13H11NO4/c15-6-10-11(16)2-1-8-7-3-4-14-5-9(7)13(17)18-12(8)10/h1-2,6,14,16H,3-5H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a
The Wistar Institute Curated by ChEMBL					Assay Description Binding affinity to human polyhisitdine-tagged/puritin-fused IRE1 by surface plasmon resonance analysis				J Med Chem 62: 5404-5413 (2019) Article DOI: 10.1021/acs.jmedchem.9b00269 BindingDB Entry DOI: 10.7270/Q25B05Q3
					More data for this Ligand-Target Pair