BDBM50072064 5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[2,3'']bipyridinyl::5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl::5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine::5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine::CHEMBL416146::ETORICOXIB

SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O

InChI Key InChIKey=MNJVRJDLRVPLFE-UHFFFAOYSA-N

Data  13 KI  33 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50072064   

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
RhôNe-Poulenc Rorer

Curated by ChEMBL

LigandBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)Copy SMILESCopy InChI

Affinity DataIC50:  810nMAssay Description:Inhibition of COX2 in human whole bloodMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMCE
KEGGMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedDrugBank

Copy BDB DOI