BDBM50561529 CHEMBL4792985

SMILES COc1ccc(cc1)-n1nc(CCC(=O)NCCCCNC(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)C([O-])=O)cc1-c1ccc(C)cc1

InChI Key InChIKey=TVHNRXDZDSLSJZ-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 = 50561529   

TargetProstaglandin G/H synthase 1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50561529(CHEMBL4792985)
Affinity DataIC50: 44nMAssay Description:Inhibition of COX-1 in human OVCAR3 cells assessed as [14C] arachidonic acid remaining using [14C] arachidonic acid as substrate preincubated for 30 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50561529(CHEMBL4792985)
Affinity DataIC50: 94nMAssay Description:Inhibition of ovine COX-1 assessed as [14C] arachidonic acid remaining using [14C] arachidonic acid as substrate preincubated for 20 mins followed by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Mouse)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50561529(CHEMBL4792985)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of murine COX-2 assessed as [14C] arachidonic acid remaining using [14C] arachidonic acid as substrate preincubated for 20 mins followed b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed