BDBM50337660 3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)-1-(3-((4-(trifluoromethyl)phenyl)ethynyl)benzyl)urea::CHEMBL1683216

SMILES CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccc(cc1)C(F)(F)F)Cc1cccc(c1)C#Cc1cccnc1

InChI Key InChIKey=POYHWBMEXFMZBF-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50337660   

TargetProstaglandin E synthase(Human)
Merck Frosst Center For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50337660(3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)-1-(3...)
Affinity DataIC50: 3nMAssay Description:Inhibition of mPGES1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
Merck Frosst Center For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50337660(3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)-1-(3...)
Affinity DataIC50: 1.06E+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
LigandPNGBDBM50337660(3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)-1-(3...)
Affinity DataIC50: 7.70E+3nMAssay Description:Inhibition of mPGES1 in LPS-stimulated human whole blood assessed as inhibition of PGE2 productionMore 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
LigandPNGBDBM50337660(3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)-1-(3...)
Affinity DataIC50: 330nMAssay 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
TargetThromboxane-A synthase(Human)
Merck Frosst Center For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50337660(3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)-1-(3...)
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