BDBM50169047 (S)-2-(4-Isobutyl-phenyl)-propionic acid::(S)-2-(4-isobutylphenyl)propanoic acid::(S)-ibuprofen::CHEMBL175::DEXIBUPROFEN::IBUPROFEN LYSINE

SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O

InChI Key InChIKey=HEFNNWSXXWATRW-JTQLQIEISA-N

Data  3 KI  20 IC50  8 EC50

PDB links: 14 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50169047   

TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
National Institute Of Pharmaceutical Education And Research

Curated by ChEMBL
LigandPNGBDBM50169047((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Affinity DataIC50:  2.66E+5nMAssay Description:In vitro inhibitory concentration of the compound against sheep placenta Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
National Institute Of Pharmaceutical Education And Research

Curated by ChEMBL
LigandPNGBDBM50169047((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of sheep COX2 by spectrophotometryMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shanghai Haini Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50169047((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Affinity DataIC50:  730nMAssay Description:Inhibition of COX2 in LPS-stimulated and PMA-treated human U937 cells assessed as PGE2 production after 15 mins by ELISAMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Shanghai Haini Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50169047((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Affinity DataIC50:  2.46E+3nMAssay Description:Inhibition of human recombinant COX-2 assessed as reduction in PGE2 level using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mi...More data for this Ligand-Target Pair