Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase/endoribonuclease IRE1' and Ligand = 'BDBM50013825'   

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))	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	US Patent	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, INC. US Patent					Assay Description All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...				US Patent US10323013 (2019) BindingDB Entry DOI: 10.7270/Q24J0HH9
					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