BDBM50337661 1-(3-((4-chlorophenyl)ethynyl)benzyl)-3-isopropyl-1-(3-(pyridin-4-ylethynyl)benzyl)urea::CHEMBL1683217

SMILES CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccncc1)Cc1cccc(c1)C#Cc1ccc(Cl)cc1

InChI Key InChIKey=OVMCDUWMLQPNBU-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50337661   

TargetAldo-keto reductase family 1 member C3(Human)
Merck Frosst Center For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50337661(1-(3-((4-chlorophenyl)ethynyl)benzyl)-3-isopropyl-...)
Affinity DataIC50: 1.07E+4nMAssay Description:Inhibition of PGF synthase in IL1-beta treated human A549 cell microsome assessed as inhibition of PGF2alpha production after 1 min in presence of 50...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetProstaglandin E synthase(Human)
Merck Frosst Center For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50337661(1-(3-((4-chlorophenyl)ethynyl)benzyl)-3-isopropyl-...)
Affinity DataIC50: 340nMAssay Description:Inhibition of mPGES1 in IL1-beta treated human A549 cell microsome assessed as inhibition of PGE2 production after 1 min in presence of 50% FBSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetProstaglandin E synthase(Human)
Merck Frosst Center For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50337661(1-(3-((4-chlorophenyl)ethynyl)benzyl)-3-isopropyl-...)
Affinity DataIC50: 2nMAssay Description:Inhibition of mPGES1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetProstaglandin E synthase(Human)
Merck Frosst Center For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50337661(1-(3-((4-chlorophenyl)ethynyl)benzyl)-3-isopropyl-...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of mPGES1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetThromboxane-A synthase(Human)
Merck Frosst Center For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50337661(1-(3-((4-chlorophenyl)ethynyl)benzyl)-3-isopropyl-...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of TX synthase in LPS-stimulated human whole blood assessed as inhibition of TXB2 productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed