BDBM50430940 CHEMBL2336518

SMILES COc1cc(ccc1OCCCC#N)-c1cc(C(O)=O)c2c(ccc3ccccc23)n1

InChI Key InChIKey=YOQGRTLMSXKKJZ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50430940   

TargetProstaglandin E synthase(Human)
Peking University

Curated by ChEMBL
LigandPNGBDBM50430940(CHEMBL2336518)
Affinity DataIC50:  4.40E+3nMAssay Description:Inhibition of PGES-1 in human whole blood assessed as LPS-induced PGE2 formation incubated for 15 mins prior to LPS addition measured after 24 hrs by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Human)
Peking University

Curated by ChEMBL
LigandPNGBDBM50430940(CHEMBL2336518)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of full-length microsomal PGES-1 (unknown origin) expressed in Escherichia coli Rosetta(DE3) using PGH2 as substrate assessed as inhibitio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed