BDBM707378 (2S,3R)-2-methyl-1-{5-methyl-4- [1-(1-methyl-3-azetidinyl)-4- pyrazolyl]-6-(trifluoromethyl)-2- pyrimidinyl}-3-azetidinol::US20240409530, Compound A12

SMILES Cc1c(-c2cnn(C3CN(C)C3)c2)nc(N2C[C@@H](O)[C@@H]2C)nc1C(F)(F)F

InChI Key InChIKey=HJMQDIMURRFMFS-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 707378   

TargetKetohexokinase(Human)
Centennial Therapeutics

US Patent
LigandPNGBDBM707378((2S,3R)-2-methyl-1-{5-methyl-4- [1-(1-methyl-3-aze...)
Affinity DataIC50: 1.05nMAssay Description:Determination of Human and Rat recombinant KHK-A and KHK-C isozyme IC50 ValuesAn assay reagent cocktail was prepared by combining NADH, water, TEA, K...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/23/2025
Entry Details
Go to US Patent

TargetIsoform A of Ketohexokinase (Peripheral)(Human)
Centennial Therapeutics

US Patent
LigandPNGBDBM707378((2S,3R)-2-methyl-1-{5-methyl-4- [1-(1-methyl-3-aze...)
Affinity DataIC50: 4.10nMAssay Description:Determination of Human and Rat recombinant KHK-A and KHK-C isozyme IC50 ValuesAn assay reagent cocktail was prepared by combining NADH, water, TEA, K...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/23/2025
Entry Details
Go to US Patent

TargetKetohexokinase(Rat)
Centennial Therapeutics

US Patent
LigandPNGBDBM707378((2S,3R)-2-methyl-1-{5-methyl-4- [1-(1-methyl-3-aze...)
Affinity DataIC50: 3.30nMAssay Description:Determination of Human and Rat recombinant KHK-A and KHK-C isozyme IC50 ValuesAn assay reagent cocktail was prepared by combining NADH, water, TEA, K...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/23/2025
Entry Details
Go to US Patent

TargetIsoform A of Ketohexokinase (Peripheral)(Rattus norvegicus (Rat))
Centennial Therapeutics

US Patent
LigandPNGBDBM707378((2S,3R)-2-methyl-1-{5-methyl-4- [1-(1-methyl-3-aze...)
Affinity DataIC50: 1.30nMAssay Description:Determination of Human and Rat recombinant KHK-A and KHK-C isozyme IC50 ValuesAn assay reagent cocktail was prepared by combining NADH, water, TEA, K...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/23/2025
Entry Details
Go to US Patent