BDBM50013817 CHEMBL3265271::US10323013, Compound 31
SMILES: Oc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1C=O
InChI Key: InChIKey=QYLNBQAISALMNC-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM50013817 (CHEMBL3265271 | US10323013, Compound 31) | 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 | 113 | 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)) | BDBM50013817 (CHEMBL3265271 | US10323013, Compound 31) | 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 | 113 | 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 |