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.

  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 = 50169047   

TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Universitat De Barcelona

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 1(Ovis aries (Sheep))
Universitat De Barcelona

Curated by ChEMBL
LigandPNGBDBM50169047((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Affinity DataIC50:  3.20E+3nMAssay Description:Inhibition of sheep COX1 by spectrophotometryMore data for this Ligand-Target Pair