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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 58 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 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 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 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 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 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 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 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 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 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 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(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 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 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 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 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:  1.20E+4nMAssay Description:Inhibition of ovine COX1 after 5 minsMore 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 sheep COX1 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 1(Ovis aries (Sheep))
Faculdade De Ci�Ncias E Tecnologia-Unl

Curated by ChEMBL
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of ovine COX-1 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 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(Homo sapiens (Human))
University of Maryland Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50009859((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Affinity DataIC50:  6.30E+3nMAssay Description:Compound was evaluated for inhibition of Prostaglandin G/H synthase 1More 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 COX1More 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:  9.00E+3nMAssay Description:Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovineMore 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:  1.44E+4nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 1 of ram seminal vesicles at 100 uMMore 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:  5.00E+3nMAssay Description:Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassayMore 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:  6.90E+3nMAssay Description:Inhibition of COX1 in human whole blood after 15 minsMore 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 COX1More 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:  1.80E+4nMAssay Description:Inhibition of COX1-catalyzed prostaglandin biosynthesis 10 mins of preincubationMore 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 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 COX-1 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:  1.30E+4nMAssay Description:Inhibition of bovine seminal microsomal COX1 assessed as PGE2 productionMore 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:  1.80E+4nMAssay Description:Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production preincubated for 10 minsMore 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+3nMAssay Description:Inhibition of ovine COX-1More 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:  1.42E+3nMAssay Description:Inhibition of ovine COX1 assessed as reduction in Prostaglandin production 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:  3.35E+3nMAssay Description:Inhibition of ovine COX1 assessed as reduction in PGH2 production 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:  7.28E+4nMAssay Description:Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 3 mins followed by substrate addition measured immediatelyMore 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:  6.30E+3nMAssay Description:Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured...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: >1.00E+4nMAssay Description:Inhibition of Ovine COX-1 preincubated for 15 mins by fluorescence analysisMore 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:  290nMAssay Description:Inhibition of COX-1 in human washed platelet assessed as inhibition of 0.5 uM arachidonic acid-induced TXB2 formation incubated for 25 mins prior to ...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:  1.86E+3nMAssay Description:Inhibition of COX-1 in human washed platelet assessed as inhibition of 10 uM arachidonic acid-induced TXB2 formation incubated for 25 mins prior to a...More data for this Ligand-Target Pair