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 118 hits for monomerid = 50009859   

TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataKi:  48nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataKi:  4.80E+3nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataKi:  5.90E+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:  7.20E+3nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataKi:  7.60E+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 1(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 COX1More 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
TargetAlbumin(Homo sapiens (Human))
Molecular Discovery

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataKi:  1.65E+5nMAssay Description:Binding affinity towards human serum albuminMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  4.00E+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(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 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  7.60E+3nMAssay Description:The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according ...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2 [E165G](Homo sapiens (Human))
Beni-Suef University

LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  7.20E+3nMAssay Description:The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according ...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.06E+3nMAssay Description:Reverisible competitive inhibition of prostaglandin G/H synthase 1More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.11E+4nMAssay Description:Inhibition activity against recombinant human Prostaglandin G/H synthase 1More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  3.00E+3nMAssay Description:Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of Prostaglandin G/H synthase 1 (COX-1).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 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.60E+4nMAssay Description:Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...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 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 1(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of PGHS1 assessed as conversion of arachidonic acid to prostaglandinMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.01E+4nMAssay Description:Inhibition of purified ovine COX1 pre-treated for 1 hr before 10-acetyl-3,7-dihydroxyphenoxazin substrate addition in absence of porcine liver estera...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 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.90E+3nMAssay Description:In vitro inhibitory concentration of the compound against COX-1 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 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of ovine COX1 by enzyme immuno assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of ovine COX1 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 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of ovine COX1 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 1(Bos taurus)
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of bovine COX1 by enzyme immunoassayMore 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 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of ovine COX1 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:Inibition of ovine COX2 by enzyme immuno assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of ovine COX1 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 immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of ovine COX1 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 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of ovine COX1 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 immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of ovine COX1 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