BDBM50585813 CHEMBL5072532

SMILES CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC

InChI Key InChIKey=OYUDYQMFVRHPIY-UHFFFAOYSA-N

Data  10 IC50  4 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50585813   

TargetHexokinase-4(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataEC50:  53nMAssay 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
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataEC50:  29nMAssay 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
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataIC50: 8.00E+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
TargetCytochrome P450 1A2(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataIC50: 7.70E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataIC50: 5.50E+4nMAssay Description:Inhibition of P-gp transporter (unknown origin)More 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
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataIC50: 123nMAssay 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
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataEC50:  148nMAssay 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
LigandPNGBDBM50585813(CHEMBL5072532)
Affinity DataEC50:  32nMAssay 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)