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 or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 54705   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM54705 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dallas Department of Veterans Affairs Medical Center Curated by PDSP Ki Database									Am J Med 104: 413-21 (1998) Article DOI: 10.1016/s0002-9343(98)00091-6 BindingDB Entry DOI: 10.7270/Q2F18X97
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM54705 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM54705 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM54705 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dallas Department of Veterans Affairs Medical Center Curated by PDSP Ki Database									Am J Med 104: 413-21 (1998) Article DOI: 10.1016/s0002-9343(98)00091-6 BindingDB Entry DOI: 10.7270/Q2F18X97
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM54705 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Glyoxalase 1 (GLO1) (Homo sapiens (Human))	BDBM54705 (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)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.83E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Inhibition of human glyoxalase 1				Bioorg Med Chem Lett 21: 4243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.05.095 BindingDB Entry DOI: 10.7270/Q23R0T76
					More data for this Ligand-Target Pair
Glyoxalase 1 (GLO1) (Homo sapiens (Human))	BDBM54705 (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)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.83E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Glyoxalase 1 (GLO1) (Homo sapiens (Human))	BDBM54705 (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)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of glyoxalase 1				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM54705 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54705 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay 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...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2W37TR5
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54705 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay 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...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24M92ZV
					More data for this Ligand-Target Pair
ras protein (Homo sapiens (Human))	BDBM54705 (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)	GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay 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...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D21W1M
					More data for this Ligand-Target Pair
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM54705 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay 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...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2X34VWJ
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54705 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay 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...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Z31X2S
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54705 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay 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...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q26H4FT9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM54705 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
ras protein (Homo sapiens (Human))	BDBM54705 (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)	GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay 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...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q23N21VG
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A. (Canis lupus familiaris)	BDBM54705 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay 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...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2V40SNS
					More data for this Ligand-Target Pair