BDBM54705 CHEMBL1297::Fenoprofen::UNM-0000306101::calcium;2-(3-phenoxyphenyl)propanoic acid;hydrate::calcium;2-(3-phenoxyphenyl)propionic acid;hydrate::cid_16219353

SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1

InChI Key InChIKey=RDJGLLICXDHJDY-UHFFFAOYSA-N

Data  8 KI  2 IC50  8 EC50

PDB links: 2 PDB IDs match this monomer.

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 18 hits for monomerid = 54705   

TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataKi:  2.73E+3nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataKi:  3.40E+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
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
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
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
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
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetLactoylglutathione lyase(Homo sapiens (Human))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataKi:  3.83E+5nMAssay Description:Inhibition of human glyoxalase 1More data for this Ligand-Target Pair
TargetLactoylglutathione lyase(Homo sapiens (Human))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataKi:  3.83E+5nMAssay Description:Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysisMore data for this Ligand-Target Pair
TargetLactoylglutathione lyase(Homo sapiens (Human))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataKi:  4.00E+5nMAssay Description:Inhibition of glyoxalase 1More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Universitat de Barcelona

Curated by ChEMBL
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataIC50: 2.73E+3nMAssay Description:Inhibition of ovine COX1 assessed as reduction in PGH2 production by enzyme immunoassayMore data for this Ligand-Target Pair
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
TargetGTPase KRas [1-37](Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
TargetRas-related protein Rab-7a(Canis lupus familiaris)
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
TargetCell division control protein 42 homolog(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
TargetCell division control protein 42 homolog(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Universitat de Barcelona

Curated by ChEMBL
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataIC50: 2.63E+4nMAssay Description:Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassayMore data for this Ligand-Target Pair
TargetGTPase KRas [1-37](Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
TargetRas-related protein Rab-2A(Canis lupus familiaris)
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM54705(CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...)
Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair