BDBM50009859 (+-)-2-(p-isobutylphenyl)propionic acid::(+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid::(+-)-ibuprofen::(+-)-p-isobutylhydratropic acid::(4-isobutylphenyl)-alpha-methylacetic acid::(RS)-ibuprofen::2-(4-isobutylphenyl)propanoic acid::2-[4-(2-methylpropyl)phenyl]propanoic acid::4-isobutylhydratropic acid::Advil::Brufen::CHEMBL521::IBUPROFEN LYSINE::Ibuprofen::Ibuprofen (1)::Motrin::alpha-(4-isobutylphenyl)propionic acid::alpha-(p-isobutylphenyl)propionic acid

SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O

InChI Key InChIKey=HEFNNWSXXWATRW-UHFFFAOYSA-N

Data  22 KI  139 IC50  2 Kd

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 54 hits for monomerid = 50009859   

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataKi:  7.20E+3nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataKi:  9.00E+3nMAssay Description:Inhibition of sheep placental cotyledons COX2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataKi:  9.90E+3nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  8.00E+3nMpH: 8.0Assay Description:Approximately 2 µg of either COX-1 or COX-2 was added to buffer containing 100 µM AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 µ...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  860nMAssay Description:Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  3.00E+4nMAssay Description:Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  100nMAssay Description:Inhibition activity against recombinant human Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  3.00E+4nMAssay Description:Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  3.00E+4nMAssay Description:Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  3.00E+4nMAssay Description:Inhibition of Prostaglandin G/H synthase 2 (COX-2).More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  4.30E+3nMAssay Description:Inhibition of human recombinant COX2 pre-treated for 1 hr before 10-acetyl-3,7-dihydroxyphenoxazin substrate addition in absence of porcine liver est...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:In vitro inhibitory concentration of the compound against COX-2 enzymeMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of ovine COX2 by enzyme immuno assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human recombinant COX2 by enzyme immuno assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of ovine COX2 by enzyme immuno assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Bos taurus)
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of bovine COX2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inibition of ovine COX2 by enzyme immuno assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of ovine COX2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of ovine COX2 by enzyme immuno assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human recombinant COX2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human recombinant COX2 by enzyme immuno assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  8.00E+4nMAssay Description:Inhibition of human recombinant COX2 after 5 minsMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human COX2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human recombinant COX2 by enzyme immuno assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  8.00E+4nMAssay Description:Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysisMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of ovine COX2 by enzyme immuno assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human recombinant COX2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  8.00E+3nMAssay Description:Tested for inhibitory activity against Prostaglandin G/H synthase 2 from humanMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.66E+5nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 2 from sheep placenta at 100 uMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  3.60E+4nMAssay Description:Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  6.20E+3nMAssay Description:Inhibition of COX2 in human whole blood after 15 minsMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human recombinant COX2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.03E+6nMAssay Description:Inhibition of COX2-catalyzed prostaglandin biosynthesis after 10 mins of preincubationMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human recombinant COX2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human recombinant COX-2 by enzyme immuno assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  3.70E+5nMAssay Description:Inhibition of sheep placental cotyledons COX2 assessed as PGE2 productionMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.03E+6nMAssay Description:Inhibition of sheep placental cotyledons COX2 assessed as PGE2 production preincubated for 10 minsMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.35E+3nMAssay Description:Inhibition of human COX2 expressed in baculovirus systemMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of human recombinant COX-2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.45E+4nMAssay Description:Inhibition of COX2 (unknown origin)More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.08E+3nMAssay Description:Inhibition of recombinant human N-terminal His-tagged COX2 expressed in baculovirus infected Sf21 cells assessed as reduction in prostaglandin produc...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  4.20E+3nMAssay Description:Inhibition of human recombinant COX2 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured a...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of recombinant human COX-2 preincubated for 15 mins by fluorescence analysisMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of human recombinant COX2 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISAMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  8.91E+3nMAssay Description:Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of human recombinant COX2 expressed in Sf9 cells using arachidonic acid and ADHP incubated for 5 mins by fluorimetryMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of human recombinant COX-2 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for...More data for this Ligand-Target Pair