BDBM707376 (2S,3R)-1-{5-chloro-4-[1-(1- methyl-3-azetidinyl)-4-pyrazolyl]- 6-(trifluoromethyl)-2- pyrimidinyl}-2-methyl-3- azetidinol::US20240409530, Compound A10

SMILES C[C@H]1[C@H](O)CN1c1nc(-c2cnn(C3CN(C)C3)c2)c(Cl)c(C(F)(F)F)n1

InChI Key InChIKey=SZMGMSHHFYLOFO-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 = 707376   

TargetKetohexokinase(Human)
Centennial Therapeutics

US Patent
LigandPNGBDBM707376((2S,3R)-1-{5-chloro-4-[1-(1- methyl-3-azetidinyl)-...)
Affinity DataIC50: 0.856nMAssay 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
LigandPNGBDBM707376((2S,3R)-1-{5-chloro-4-[1-(1- methyl-3-azetidinyl)-...)
Affinity DataIC50: 0.200nMAssay 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
LigandPNGBDBM707376((2S,3R)-1-{5-chloro-4-[1-(1- methyl-3-azetidinyl)-...)
Affinity DataIC50: 1.10nMAssay 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

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

US Patent
LigandPNGBDBM707376((2S,3R)-1-{5-chloro-4-[1-(1- methyl-3-azetidinyl)-...)
Affinity DataIC50: 0.200nMAssay 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