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SMILES: COc1cc2c(C)c(Br)c(=O)oc2c(C=O)c1O

InChI Key: InChIKey=YPDZLYQNCHSQOJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 160339   

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))	BDBM160339 (US9040714, 6 | US9693992, 6) Show SMILES COc1cc2c(C)c(Br)c(=O)oc2c(C=O)c1O Show InChI InChI=1S/C12H9BrO5/c1-5-6-3-8(17-2)10(15)7(4-14)11(6)18-12(16)9(5)13/h3-4,15H,1-2H3	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))	BDBM160339 (US9040714, 6 | US9693992, 6) Show SMILES COc1cc2c(C)c(Br)c(=O)oc2c(C=O)c1O Show InChI InChI=1S/C12H9BrO5/c1-5-6-3-8(17-2)10(15)7(4-14)11(6)18-12(16)9(5)13/h3-4,15H,1-2H3	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