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SMILES: Cc1nc(sc1C(=O)N1CCOCC1)-c1cc2ccc(O)c(C=O)c2oc1=O

InChI Key: InChIKey=POBTWXFIBMPDFU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 160359   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM160359 (US9040714, 27 | US9693992, 27) Show SMILES Cc1nc(sc1C(=O)N1CCOCC1)-c1cc2ccc(O)c(C=O)c2oc1=O Show InChI InChI=1S/C19H16N2O6S/c1-10-16(18(24)21-4-6-26-7-5-21)28-17(20-10)12-8-11-2-3-14(23)13(9-22)15(11)27-19(12)25/h2-3,8-9,23H,4-7H2,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM160359 (US9040714, 27 | US9693992, 27) Show SMILES Cc1nc(sc1C(=O)N1CCOCC1)-c1cc2ccc(O)c(C=O)c2oc1=O Show InChI InChI=1S/C19H16N2O6S/c1-10-16(18(24)21-4-6-26-7-5-21)28-17(20-10)12-8-11-2-3-14(23)13(9-22)15(11)27-19(12)25/h2-3,8-9,23H,4-7H2,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	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-1alpha (GST-IRE-1alpha) obtained from a 500 ml baculovirus-infected insect ...				US Patent US9040714 (2015) BindingDB Entry DOI: 10.7270/Q2S75F3S
					More data for this Ligand-Target Pair