Compile Data Set for Download or QSAR
Found 13 Enz. Inhib. hit(s) for PDB: 3N8Z
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50074922((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Affinity DataKi:  75nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50074922((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Affinity DataKi:  410nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Drexel University College of Medicine

Curated by ChEMBL
LigandPNGBDBM50074922((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Affinity DataKi:  1.00E+3nMAssay Description:Binding affinity of compound towards prostaglandin G/H synthase 1 was evaluatedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50074922((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Affinity DataIC50: 10nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Drexel University College of Medicine

Curated by ChEMBL
LigandPNGBDBM50074922((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Affinity DataIC50: 11nMAssay Description:In vitro inhibitory activity against Prostaglandin G/H synthase 1 in sheepMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Drexel University College of Medicine

Curated by ChEMBL
LigandPNGBDBM50074922((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Affinity DataIC50: 12nMAssay Description:Reverisible competitive inhibition of prostaglandin G/H synthase 1More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(RAT)
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50172479((S)-FLURBIPROFEN | CHEMBL435298)
Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
Affinity DataIC50: 30nMAssay Description:Concentration required to inhibit cyclooxygenase-1 in rat bloodMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Drexel University College of Medicine

Curated by ChEMBL
LigandPNGBDBM50074922((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Affinity DataIC50: 150nMAssay Description:Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Drexel University College of Medicine

Curated by ChEMBL
LigandPNGBDBM50074922((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Affinity DataIC50: 150nMAssay Description:COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(RAT)
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50074922((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Affinity DataIC50: 170nMAssay Description:Concentration required to inhibit cyclooxygenase-1 in rat bloodMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Drexel University College of Medicine

Curated by ChEMBL
LigandPNGBDBM50074922((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Affinity DataIC50: 500nMAssay Description:Inhibition of ovine COX1More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50074922((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of COX-1 (unknown origin)More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50172479((S)-FLURBIPROFEN | CHEMBL435298)
Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of COX1 in human whole bloodMore data for this Ligand-Target Pair