BDBM50430936 CHEMBL2336942

SMILES COc1cc(NC(=O)c2nn3c(cc(nc3c2Cl)-c2ccc(Br)cc2)C(F)(F)F)cc(c1)[N+]([O-])=O

InChI Key InChIKey=FWZGFTNKAIJZFG-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 = 50430936   

TargetProstaglandin E synthase(Human)
Peking University

Curated by ChEMBL
LigandPNGBDBM50430936(CHEMBL2336942)
Affinity DataIC50: 9.70nMAssay 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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetProstaglandin E synthase(Human)
Peking University

Curated by ChEMBL
LigandPNGBDBM50430936(CHEMBL2336942)
Affinity DataIC50: 8.50E+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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed