Found 10 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Prostaglandin G/H synthase 2
(484/550 = 88%)† (Homo sapiens (Human)) | BDBM50074922
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| 770 | 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 | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(484/550 = 88%)† (Homo sapiens (Human)) | BDBM50074922
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| 4.23E+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 | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(484/550 = 88%)† (Homo sapiens (Human)) | BDBM50074922
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| 5.50E+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 | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(484/550 = 88%)† (Homo sapiens (Human)) | BDBM50074922
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada Inc.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Prostaglandin G/H synthase 2 (COX-2) in human |
Bioorg Med Chem Lett 9: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q2H994CC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(484/550 = 88%)† (Homo sapiens (Human)) | BDBM50074922
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Chemical Biology and Center in Molecular Toxicology
Curated by ChEMBL
| Assay Description Inhibition of COX2 |
J Med Chem 50: 1425-41 (2007)
Article DOI: 10.1021/jm0613166 BindingDB Entry DOI: 10.7270/Q2P26XTQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(549/551 > 99%)† (Mus musculus (Mouse)) | BDBM50074922
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)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) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College London
Curated by ChEMBL
| Assay Description Inhibition of mouse COX2 |
Bioorg Med Chem 18: 2204-18 (2010)
Article DOI: 10.1016/j.bmc.2010.01.070 BindingDB Entry DOI: 10.7270/Q27945MJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(484/550 = 88%)† (Homo sapiens (Human)) | BDBM50172479
((S)-FLURBIPROFEN | CHEMBL435298)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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiesi Farmaceutici S.p.A.
Curated by ChEMBL
| Assay Description Concentration required to inhibit cyclooxygenase-2 in human blood |
J Med Chem 48: 5705-20 (2005)
Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(484/550 = 88%)† (Homo sapiens (Human)) | BDBM50074922
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB US Patent
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna
US Patent
| Assay 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... |
US Patent US9630914 (2017)
BindingDB Entry DOI: 10.7270/Q2JW8H0S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(484/550 = 88%)† (Homo sapiens (Human)) | BDBM50074922
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione Istituto Italiano di Tecnologia
Curated by ChEMBL
| Assay Description Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci... |
Eur J Med Chem 109: 216-37 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.036 BindingDB Entry DOI: 10.7270/Q21C1ZRJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(484/550 = 88%)† (Homo sapiens (Human)) | BDBM50074922
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw Medical University
Curated by ChEMBL
| Assay Description Inhibition of COX-2 (unknown origin) |
Bioorg Med Chem 25: 316-326 (2017)
Article DOI: 10.1016/j.bmc.2016.10.036 BindingDB Entry DOI: 10.7270/Q21V5GZS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |