BDBM50114428 Myrtucommulone H

SMILES CCCCCC(=O)c1c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O

InChI Key InChIKey=BHCDLVJZEUNTHT-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50114428   

TargetProstaglandin E synthase(Human)
University of Jena

Curated by ChEMBL
LigandPNGBDBM50114428(Myrtucommulone H)
Affinity DataIC50: 300nMAssay Description:Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2016
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
University of Jena

Curated by ChEMBL
LigandPNGBDBM50114428(Myrtucommulone H)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2016
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
University of Jena

Curated by ChEMBL
LigandPNGBDBM50114428(Myrtucommulone H)
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2016
Entry Details Article
PubMed