BDBM50013819 CHEMBL3265273::US10323013, Compound 33

SMILES: CC(=C)CN1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21

InChI Key: InChIKey=YBWUCJWFBYAVCY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50013819   

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))	BDBM50013819 (CHEMBL3265273 | US10323013, Compound 33) Show SMILES CC(=C)CN1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21 Show InChI InChI=1S/C17H17NO4/c1-10(2)7-18-6-5-11-12-3-4-15(20)14(9-19)16(12)22-17(21)13(11)8-18/h3-4,9,20H,1,5-8H2,2H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. US Patent					Assay Description All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...				US Patent US10323013 (2019) BindingDB Entry DOI: 10.7270/Q24J0HH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human))	BDBM50013819 (CHEMBL3265273 | US10323013, Compound 33) Show SMILES CC(=C)CN1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21 Show InChI InChI=1S/C17H17NO4/c1-10(2)7-18-6-5-11-12-3-4-15(20)14(9-19)16(12)22-17(21)13(11)8-18/h3-4,9,20H,1,5-8H2,2H3	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	255	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