BDBM111341 US8614253, 29-1::US9241942, 29-1

SMILES: COC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1

InChI Key: InChIKey=WXSWAZIIQXYJAM-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 111341   

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 Alpha (Homo sapiens (Human))	BDBM111341 (US8614253, 29-1 | US9241942, 29-1) Show SMILES COC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1 Show InChI InChI=1S/C19H14O4/c1-23-19(22)15-4-2-3-12(10-15)13-5-7-16-14(9-13)6-8-18(21)17(16)11-20/h2-11,21H,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	5.67E+3	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 Alpha (Homo sapiens (Human))	BDBM111341 (US8614253, 29-1 | US9241942, 29-1) Show SMILES COC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1 Show InChI InChI=1S/C19H14O4/c1-23-19(22)15-4-2-3-12(10-15)13-5-7-16-14(9-13)6-8-18(21)17(16)11-20/h2-11,21H,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins p...				J Med Chem 57: 4289-301 (2014) Article DOI: 10.1021/jm5002452 BindingDB Entry DOI: 10.7270/Q23R0VDV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human))	BDBM111341 (US8614253, 29-1 | US9241942, 29-1) Show SMILES COC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1 Show InChI InChI=1S/C19H14O4/c1-23-19(22)15-4-2-3-12(10-15)13-5-7-16-14(9-13)6-8-18(21)17(16)11-20/h2-11,21H,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	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 Alpha (Homo sapiens (Human))	BDBM111341 (US8614253, 29-1 | US9241942, 29-1) Show SMILES COC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1 Show InChI InChI=1S/C19H14O4/c1-23-19(22)15-4-2-3-12(10-15)13-5-7-16-14(9-13)6-8-18(21)17(16)11-20/h2-11,21H,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	5.67E+3	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