BDBM50626269 CHEMBL5413558

SMILES CCCCCCNC(=O)c1ccccc1SC(C)=O

InChI Key InChIKey=KGAGFWKNDZFSNV-UHFFFAOYSA-N

Data  1 KI  2 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 3 hits for monomerid = 50626269   

TargetProstaglandin G/H synthase 1(Sheep)
University of Delaware

Curated by ChEMBL
LigandPNGBDBM50626269(CHEMBL5413558)
Affinity DataIC50: 5.00E+4nMAssay Description:Covalent inhibition of recombinant ovine COX-1 using arachidonic acid as substrate assessed as reduction in PGE2 production preincubated with compoun...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
University of Delaware

Curated by ChEMBL
LigandPNGBDBM50626269(CHEMBL5413558)
Affinity DataIC50: 1.00E+4nMAssay Description:Covalent inhibition of recombinant ovine COX-1 using arachidonic acid as substrate assessed as reduction in PGE2 production preincubated with compoun...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
University of Delaware

Curated by ChEMBL
LigandPNGBDBM50626269(CHEMBL5413558)
Affinity DataKi:  3.39E+4nMAssay Description:Non-covalent binding affinity to recombinant ovine COX1 using arachidonic acid as substrate assessed as binding constant preincubated with compound f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed