BDBM111000 US8614253, 3-31::US9241942, 3-31::US9963434, Compound 3-31
SMILES: Oc1c(Br)cc(Br)cc1C=O
InChI Key: InChIKey=JHZOXYGFQMROFJ-UHFFFAOYSA-N
Data: 4 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)) | BDBM111000 (US8614253, 3-31 | US9241942, 3-31 | US9963434, Com...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 720 | 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)) | BDBM111000 (US8614253, 3-31 | US9241942, 3-31 | US9963434, Com...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis | 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... | J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q2BK1FQR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha (Homo sapiens (Human)) | BDBM111000 (US8614253, 3-31 | US9241942, 3-31 | US9963434, Com...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE 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)) | BDBM111000 (US8614253, 3-31 | US9241942, 3-31 | US9963434, Com...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 720 | 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 |