Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase/endoribonuclease IRE1' and Ligand = 'BDBM70493'   

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))	BDBM70493 (US9693992, 204) Show SMILES CCNC(=O)CCc1c(C)c2cc(OCCN3CCOCC3)c(O)c(C=O)c2oc1=O Show InChI InChI=1S/C22H28N2O7/c1-3-23-19(26)5-4-15-14(2)16-12-18(30-11-8-24-6-9-29-10-7-24)20(27)17(13-25)21(16)31-22(15)28/h12-13,27H,3-11H2,1-2H3,(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	n/a	n/a	>1.00E+4	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) obtained from a 500 ml baculovirus-infected ins...				US Patent US9693992 (2017) BindingDB Entry DOI: 10.7270/Q2CZ35BC
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