BDBM652131 US11905258, Example 91-39958

SMILES Cn1ncc(Nc2ncc3cc(Cl)c(C4CCN([C@H]5COC[C@H]5O)CC4)cc3n2)c1Cl

InChI Key InChIKey=YMTWEEAMIVDUJZ-UHFFFAOYSA-N

Data  1 EC50

  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 = 652131   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 652131BDBM652131((3S,4S) or (3R,4R) 4-(4-{6-chloro- 2-[(5-chloro-1-...)
Affinity DataIC50: 0.631nMAssay Description:The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cells...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/15/2026
Entry Details US Patent