BDBM790254 (3S,4S)(3S,4S) or (3S,4S)(3R,4R) or (3R,4R)(3S,4S) or (3R,4R)(3R,4R) 4-[4-(2-{[5- chloro-1-(3- fluorobicyclo[1.1.1]pentan-1-yl)- 1H-pyrazol-4-yl]amino}-6- methylquinazolin-7-yl)-3- fluoropiperidin-1-yl]oxolan-3-ol::US12540131, Ex-4.232

SMILES Cc1cc2cnc(Nc3cnn(C45CC(F)(C4)C5)c3Cl)nc2cc1[C@@H]1CCN([C@@H]2COC[C@@H]2O)C[C@H]1F

InChI Key

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 790254   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 790254BDBM790254((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