BDBM50430942 CHEMBL2336516

SMILES Cc1ccc(cc1NC(=O)CSc1nnc(CNc2c(C)cccc2C)n1C)[N+]([O-])=O

InChI Key InChIKey=WAPDTPUXKPBRHS-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 = 50430942   

TargetProstaglandin E synthase(Homo sapiens (Human))
Peking University

Curated by ChEMBL
LigandPNGBDBM50430942(CHEMBL2336516)
Affinity DataIC50:  9.30nMAssay 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
TargetProstaglandin E synthase(Homo sapiens (Human))
Peking University

Curated by ChEMBL
LigandPNGBDBM50430942(CHEMBL2336516)
Affinity DataIC50:  700nMAssay 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