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 1 hit for monomerid = 50169047   

TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50169047((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...More data for this Ligand-Target Pair