null

SMILES: OC(=O)c1cccc(n1)-c1ccc2c(C=O)c(O)ccc2c1

InChI Key: InChIKey=XDSPFOAMCKFUPU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 111364   

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))	BDBM111364 (US8614253, 31-2 | US8614253, 32-14 | US8614253, 42...) Show SMILES OC(=O)c1cccc(n1)-c1ccc2c(C=O)c(O)ccc2c1 Show InChI InChI=1S/C17H11NO4/c19-9-13-12-6-4-11(8-10(12)5-7-16(13)20)14-2-1-3-15(18-14)17(21)22/h1-9,20H,(H,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	125	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111364 (US8614253, 31-2 | US8614253, 32-14 | US8614253, 42...) Show SMILES OC(=O)c1cccc(n1)-c1ccc2c(C=O)c(O)ccc2c1 Show InChI InChI=1S/C17H11NO4/c19-9-13-12-6-4-11(8-10(12)5-7-16(13)20)14-2-1-3-15(18-14)17(21)22/h1-9,20H,(H,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	125	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111364 (US8614253, 31-2 | US8614253, 32-14 | US8614253, 42...) Show SMILES OC(=O)c1cccc(n1)-c1ccc2c(C=O)c(O)ccc2c1 Show InChI InChI=1S/C17H11NO4/c19-9-13-12-6-4-11(8-10(12)5-7-16(13)20)14-2-1-3-15(18-14)17(21)22/h1-9,20H,(H,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	125	n/a	n/a	n/a	n/a	7.5	30
MannKind Corporation US Patent					Assay Description IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...				US Patent US8614253 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SQR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111364 (US8614253, 31-2 | US8614253, 32-14 | US8614253, 42...) Show SMILES OC(=O)c1cccc(n1)-c1ccc2c(C=O)c(O)ccc2c1 Show InChI InChI=1S/C17H11NO4/c19-9-13-12-6-4-11(8-10(12)5-7-16(13)20)14-2-1-3-15(18-14)17(21)22/h1-9,20H,(H,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
MannKind Corporation US Patent					Assay Description Initial cell-based XBP-1 mRNA splicing assays confirmed IRE-1α inhibition with several potent 5-bromo and 6 bromo o-vanillins. HEK293 cells were...				US Patent US9241942 (2016) BindingDB Entry DOI: 10.7270/Q25B0192
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111364 (US8614253, 31-2 | US8614253, 32-14 | US8614253, 42...) Show SMILES OC(=O)c1cccc(n1)-c1ccc2c(C=O)c(O)ccc2c1 Show InChI InChI=1S/C17H11NO4/c19-9-13-12-6-4-11(8-10(12)5-7-16(13)20)14-2-1-3-15(18-14)17(21)22/h1-9,20H,(H,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	125	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-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...				US Patent US9241942 (2016) BindingDB Entry DOI: 10.7270/Q25B0192
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111364 (US8614253, 31-2 | US8614253, 32-14 | US8614253, 42...) Show SMILES OC(=O)c1cccc(n1)-c1ccc2c(C=O)c(O)ccc2c1 Show InChI InChI=1S/C17H11NO4/c19-9-13-12-6-4-11(8-10(12)5-7-16(13)20)14-2-1-3-15(18-14)17(21)22/h1-9,20H,(H,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	125	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-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...				US Patent US9241942 (2016) BindingDB Entry DOI: 10.7270/Q25B0192
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM111364 (US8614253, 31-2 | US8614253, 32-14 | US8614253, 42...) Show SMILES OC(=O)c1cccc(n1)-c1ccc2c(C=O)c(O)ccc2c1 Show InChI InChI=1S/C17H11NO4/c19-9-13-12-6-4-11(8-10(12)5-7-16(13)20)14-2-1-3-15(18-14)17(21)22/h1-9,20H,(H,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	125	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-1α (GST-IRE-1α) was obtained from a 500 ml baculovirus-infected i...				US Patent US9241942 (2016) BindingDB Entry DOI: 10.7270/Q25B0192
					More data for this Ligand-Target Pair