BDBM790267 (3S,4S)(3S,4S) or (3S,4S)(3R,4R) or (3R,4R)(3S,4S) or (3R,4R)(3R,4R) 4-(4-{2-[(3-tert- butyl-1-methyl-1H-pyrazol-5- yl)amino]-6-chloroquinazolin-7- yl}-3-fluoropiperidin-1-yl)-4- methyloxolan-3-ol::US12540131, Ex-4.245

SMILES Cn1nc(C(C)(C)C)cc1Nc1ncc2cc(Cl)c([C@@H]3CCN([C@]4(C)COC[C@@H]4O)C[C@H]3F)cc2n1

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 790267   

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 790267BDBM790267((3S,4S)(3S,4S) or (3S,4S)(3R,4R) or (3R,4R)(3S,4S)...)
Affinity DataIC50: 0.631nMAssay Description:Initial cell-based XBP-1 mRNA splicing assays confirmed IRE-1α inhibition with several potent 5-bromo and 6 bromo o-vanillins. HEK293 cells were...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/15/2026
Entry Details US Patent