BDBM50430943 CHEMBL2336515

SMILES COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nc1-c1ccc(OC)cc1

InChI Key InChIKey=DQBUKJYBZYAJSZ-UHFFFAOYSA-N

Data  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 2 hits for monomerid = 50430943   

TargetProstaglandin E synthase(Human)
Peking University

Curated by ChEMBL
LigandPNGBDBM50430943(CHEMBL2336515)
Affinity DataIC50: 4nMAssay 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
LigandPNGBDBM50430943(CHEMBL2336515)
Affinity DataIC50: 300nMAssay 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