null

SMILES: Cc1c(-c2cccc(c2)C(=O)N2CCOCC2)c(=O)oc2c(C=O)c(O)ccc12

InChI Key: InChIKey=DVXKLDSNBLHAHW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 160346   

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))	BDBM160346 (US9040714, 13 | US9693992, 13) Show SMILES Cc1c(-c2cccc(c2)C(=O)N2CCOCC2)c(=O)oc2c(C=O)c(O)ccc12 Show InChI InChI=1S/C22H19NO6/c1-13-16-5-6-18(25)17(12-24)20(16)29-22(27)19(13)14-3-2-4-15(11-14)21(26)23-7-9-28-10-8-23/h2-6,11-12,25H,7-10H2,1H3	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))	BDBM160346 (US9040714, 13 | US9693992, 13) Show SMILES Cc1c(-c2cccc(c2)C(=O)N2CCOCC2)c(=O)oc2c(C=O)c(O)ccc12 Show InChI InChI=1S/C22H19NO6/c1-13-16-5-6-18(25)17(12-24)20(16)29-22(27)19(13)14-3-2-4-15(11-14)21(26)23-7-9-28-10-8-23/h2-6,11-12,25H,7-10H2,1H3	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