BDBM50241207 CHEMBL4086173

SMILES Cc1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)CO

InChI Key InChIKey=YDGQZYCXWPQCTM-UHFFFAOYSA-N

Data  2 IC50  1 Kd

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 = 50241207   

TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241207(CHEMBL4086173)
Affinity DataIC50: 1.20E+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 Depth
Date in BDB:
10/9/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241207(CHEMBL4086173)
Affinity DataIC50: 1.18E+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 Depth
Date in BDB:
10/9/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50241207(CHEMBL4086173)
Affinity DataKd:  2.00E+4nMAssay Description:Binding affinity to full length recombinant human biotin-labeled KHK by SPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)