BDBM42298 (R)-5-((6-(3-fluoro-4H-1,2,4-triazol-4-yl)pyridin-3-yl)ethynyl)-2-(3-(methoxymethyl)-4-(pyrimidin-2-yl)piperazin-1-yl)pyrimidine::WO2024186584, Example 59

SMILES FC1=NN=CN1C1=CC=C(C=N1)C#CC=1C=NC(=NC1)N1C[C@@H](N(CC1)C1=NC=CC=N1)COC

InChI Key InChIKey=RPKKLLBYZGKTQK-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 42298   

TargetAlpha-synuclein(Human)
8932 Hightail Drive

WIPO
LigandChemical structure of BindingDB Monomer ID 42298BDBM42298((R)-5-((6-(3-fluoro-4H-1,2,4-triazol-4-yl)pyridin-...)
Affinity DataKi:  5.06nMAssay Description:Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details
WIPO WO2024186584

TargetAmyloid-beta precursor protein(Human)
8932 Hightail Drive

WIPO
LigandChemical structure of BindingDB Monomer ID 42298BDBM42298((R)-5-((6-(3-fluoro-4H-1,2,4-triazol-4-yl)pyridin-...)
Affinity DataKi:  1.20E+3nMAssay Description:Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2026
Entry Details
WIPO WO2024186584