BDBM50241206 CHEMBL1500542

SMILES Cc1cc(C)c(C#N)c(n1)N1CCOCC1

InChI Key InChIKey=LUTZBWBXBMVIOV-UHFFFAOYSA-N

Data  3 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

  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 5 hits for monomerid = 50241206   

TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241206(CHEMBL1500542)
Affinity DataIC50: 3.19E+5nMAssay Description:Inhibition of recombinant human N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins f...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241206(CHEMBL1500542)
Affinity DataKd:  6.20E+4nMAssay Description:Binding affinity to full length recombinant human biotin-labeled KHK by SPR assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241206(CHEMBL1500542)
Affinity DataIC50: 3.16E+5nMAssay Description:Inhibition of recombinant human N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins f...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241206(CHEMBL1500542)
Affinity DataKd:  6.20E+4nMAssay Description:Binding affinity to recombinant His-tagged human KHK expressed in Escherichia coli in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241206(CHEMBL1500542)
Affinity DataIC50: 3.19E+5nMAssay Description:Inhibition of recombinant His-tagged human KHK expressed in Escherichia coli in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)