BDBM50117772 CHEMBL10921::N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyrazol-4-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-N-(4'-trifluoromethyl-biphenyl-4-ylmethyl)-acetamide

SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1

InChI Key InChIKey=VGIQUSQBXZXBGW-UHFFFAOYSA-N

Data  1 KI  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50117772   

TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50117772(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of cytochrome P450 3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50117772(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 3.70E+4nMAssay Description:Inhibition of cytochrome P450 2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50117772(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of cytochrome P450 2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50117772(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of cytochrome P450 1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50117772(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of cytochrome P450 2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50117772(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 3.70E+4nMAssay Description:Inhibitory activity against Cytochrome P450 2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50117772(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory activity against CYP450 3A4 isozymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPlatelet-activating factor acetylhydrolase(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50117772(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 0.0600nMAssay Description:Inhibitory activity against recombinant human Lp-PLA2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPlatelet-activating factor acetylhydrolase(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50117772(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 0.00600nMAssay Description:Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimatedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPlatelet-activating factor acetylhydrolase(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50117772(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 3nMAssay Description:Inhibition of the Phospholipase A2 (Lp-PLA2) enzyme in whole human plasmaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPlatelet-activating factor acetylhydrolase(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50117772(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataKi:  0.0300nMAssay Description:Steady state and transient kinetics to a freely reversible, non-covalently bound, human recombinant Phospholipase A2 (rhLp-PLA2) was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed