BDBM50013831 CHEMBL3265285

SMILES: Oc1ccc2c(CCCCNC(=O)OCC=C)cc(=O)oc2c1C=O

InChI Key: InChIKey=KTWUJSNNFLXRRL-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50013831   

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))	BDBM50013831 (CHEMBL3265285) Show SMILES Oc1ccc2c(CCCCNC(=O)OCC=C)cc(=O)oc2c1C=O Show InChI InChI=1S/C18H19NO6/c1-2-9-24-18(23)19-8-4-3-5-12-10-16(22)25-17-13(12)6-7-15(21)14(17)11-20/h2,6-7,10-11,21H,1,3-5,8-9H2,(H,19,23)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	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