BDBM50585812 CHEMBL5091943

SMILES CCOP(=O)(Cc1csc(n1)NC(=O)c2cc(cc(c2)O[C@@H](C)COC)Oc3ccc(cc3)S(=O)(=O)C)OCC

InChI Key InChIKey=OQUMCVQSAWPKMT-UHFFFAOYSA-N

Data  2 IC50  4 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50585812   

TargetHexokinase-4(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585812(CHEMBL5091943)
Affinity DataEC50:  64nMAssay Description:Activation of recombinant human full length liver glucokinase expressed in Escherichia coli incubated for 10 mins in presence of 5 mM glucose by plat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHexokinase-4(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585812(CHEMBL5091943)
Affinity DataEC50:  38nMAssay Description:Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585812(CHEMBL5091943)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of hERG by patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetHexokinase-4(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585812(CHEMBL5091943)
Affinity DataIC50: 122nMAssay Description:Displacement of fluorescent labeled derivative from recombinant human hepatic glucokinase incubated for 30 mins in presence of 12 mM glucose by fluor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHexokinase-4(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585812(CHEMBL5091943)
Affinity DataEC50:  185nMAssay Description:Activation of recombinant human full length liver glucokinase expressed in Escherichia coli incubated for 10 mins in presence of 2 mM glucose by plat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHexokinase-4(Mouse)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585812(CHEMBL5091943)
Affinity DataEC50:  42nMAssay Description:Activation of recombinant mouse full length liver glucokinase expressed in Escherichia coli incubated for 10 mins in presence of 12 mM glucose by pla...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)