BDBM50013832 CHEMBL3265286

SMILES: Oc1ccc2c3CCCN(Cc3c(=O)oc2c1C=O)C(=O)OCC=C

InChI Key: InChIKey=VJQYOVRGTPQRNA-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 = 50013832   

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))	BDBM50013832 (CHEMBL3265286) Show SMILES Oc1ccc2c3CCCN(Cc3c(=O)oc2c1C=O)C(=O)OCC=C Show InChI InChI=1S/C18H17NO6/c1-2-8-24-18(23)19-7-3-4-11-12-5-6-15(21)14(10-20)16(12)25-17(22)13(11)9-19/h2,5-6,10,21H,1,3-4,7-9H2	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