BDBM50380257 CHEMBL2017253

SMILES CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CC6(C5)CNC6

InChI Key InChIKey=HWRXWXISYHCNJM-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50380257   

TargetKetohexokinase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50380257(CHEMBL2017253)
Affinity DataIC50: 8nMAssay Description:Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50380257(CHEMBL2017253)
Affinity DataIC50: 8nMAssay Description:Inhibition of recombinant human hepatic KHKCMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50380257(CHEMBL2017253)
Affinity DataIC50: 360nMAssay Description:Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)