BDBM50241178 CHEMBL4070442

SMILES C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@@H]([C@H](C3)O)O)C(F)(F)F)C#N)O

InChI Key InChIKey=FAXXYODRCHXHTQ-UHFFFAOYSA-N

Data  9 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50241178   

TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241178(CHEMBL4070442)
Affinity DataIC50: 389nMAssay Description:Inhibition of recombinant human N-terminal His-tagged KHK-A expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241178(CHEMBL4070442)
Affinity DataIC50: 450nMAssay Description:Inhibition of recombinant human N-terminal His-tagged KHK-C expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Rat)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241178(CHEMBL4070442)
Affinity DataIC50: 340nMAssay Description:Inhibition of recombinant rat N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins fol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241178(CHEMBL4070442)
Affinity DataIC50: 450nMAssay Description:Inhibition of recombinant human N-terminal His-tagged KHK-C expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241178(CHEMBL4070442)
Affinity DataIC50: 390nMAssay Description:Inhibition of recombinant human N-terminal His-tagged KHK-A expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Rat)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241178(CHEMBL4070442)
Affinity DataIC50: 340nMAssay Description:Inhibition of recombinant rat N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins fol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Rat)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241178(CHEMBL4070442)
Affinity DataIC50: 340nMAssay Description:Inhibition of rat KHKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241178(CHEMBL4070442)
Affinity DataIC50: 450nMAssay Description:Inhibition of recombinant His-tagged human KHK expressed in Escherichia coli in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241178(CHEMBL4070442)
Affinity DataIC50: 450nMAssay Description:Inhibition of 10 nM recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate preincubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)