Found 42 hits for monomerid = 50029600 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
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | 8.0 | 25 |
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.
| Assay Description Tested compounds (50 uM), DuP-597 (0.5 uM; positive control), 11f and 11eie(1 nM - 200 uM ) or vehicle were pre-incubated with COX-FIS assay buffer (... |
ACS Chem Biol 9: 1499-507 (2014)
Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295 |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pusan National University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi... |
Eur J Med Chem 180: 86-98 (2019)
Article DOI: 10.1016/j.ejmech.2019.07.016 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Minia University
| Assay Description COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz... |
Bioorg Chem 69: 48-63 (2016)
Article DOI: 10.1016/j.bioorg.2016.09.005 BindingDB Entry DOI: 10.7270/Q21J98KS |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against human COX-1 expressed in baculovirus infected Sf9 cells |
Bioorg Med Chem Lett 5: 2123-2128 (1995)
Article DOI: 10.1016/0960-894X(95)00359-2 BindingDB Entry DOI: 10.7270/Q24Q7TZ7 |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre For Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of Prostaglandin G/H synthase 1 in human whole blood (HWB) assay |
Bioorg Med Chem Lett 9: 1715-20 (1999)
BindingDB Entry DOI: 10.7270/Q2BV7FSP |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
UniProtKB/SwissProt
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| Article
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 1 |
Bioorg Med Chem Lett 5: 2919-2922 (1995)
Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2 |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
UniProtKB/SwissProt
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| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound against human recombinant Prostaglandin G/H synthase 1 expressed in microsomes taken from baculovirus infected Sf... |
Bioorg Med Chem Lett 6: 87-92 (1996)
Article DOI: 10.1016/0960-894X(95)00564-A BindingDB Entry DOI: 10.7270/Q20C4VR4 |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL KEGG PC cid PC sid UniChem
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| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2 |
Bioorg Med Chem Lett 8: 2777-82 (1999)
BindingDB Entry DOI: 10.7270/Q2FX78M0 |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of Prostaglandin G/H synthase 1 was measured by the inhibition of PGE-2 produced by microsomes from U937 cells at subsaturating arachidoni... |
Bioorg Med Chem Lett 8: 2777-82 (1999)
BindingDB Entry DOI: 10.7270/Q2FX78M0 |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
UniProtKB/SwissProt
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| Article
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PGE-2 production in arachidonic acid-stimulated CHO cells expressing human Prostaglandin G/H synthase 1 |
Bioorg Med Chem Lett 6: 2677-2682 (1996)
Article DOI: 10.1016/S0960-894X(96)00501-X BindingDB Entry DOI: 10.7270/Q2RB74M8 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
KEGG
UniProtKB/SwissProt
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| Article
| n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibitory activity against ovine Prostaglandin G/H synthase 1 |
Bioorg Med Chem Lett 6: 2907-2912 (1996)
Article DOI: 10.1016/S0960-894X(96)00513-6 BindingDB Entry DOI: 10.7270/Q2ZW1KWB |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-... |
Bioorg Med Chem Lett 7: 47-52 (1997)
Article DOI: 10.1016/S0960-894X(96)00580-X BindingDB Entry DOI: 10.7270/Q2FN166R |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 1 in chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 7: 57-62 (1997)
Article DOI: 10.1016/S0960-894X(96)00582-3 BindingDB Entry DOI: 10.7270/Q29W0FG1 |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL KEGG PC cid PC sid UniChem
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| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research and Development
Curated by ChEMBL
| Assay Description In vitro inhibition of prostaglandin G/H synthase 1. |
J Med Chem 38: 4570-8 (1995)
BindingDB Entry DOI: 10.7270/Q23N22D2 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL KEGG PC cid PC sid UniChem
Patents
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| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research and Development
Curated by ChEMBL
| Assay Description In vitro inhibition of prostaglandin G/H synthase 2 (COX-2). |
J Med Chem 38: 4570-8 (1995)
BindingDB Entry DOI: 10.7270/Q23N22D2 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL KEGG PC cid PC sid UniChem
Patents
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| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2 |
Bioorg Med Chem Lett 8: 2777-82 (1999)
BindingDB Entry DOI: 10.7270/Q2FX78M0 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 190 | 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 | |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
KEGG
UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 4.60E+3 | 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 1 in sheep |
Bioorg Med Chem Lett 9: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q2H994CC |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX1 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ... |
Bioorg Med Chem Lett 19: 4509-14 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against human recombinant Prostaglandin G/H synthase 2 |
Bioorg Med Chem Lett 5: 2919-2922 (1995)
Article DOI: 10.1016/0960-894X(95)00512-R BindingDB Entry DOI: 10.7270/Q2HM58D2 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against human COX-2 expressed in baculovirus infected Sf9 cells |
Bioorg Med Chem Lett 5: 2123-2128 (1995)
Article DOI: 10.1016/0960-894X(95)00359-2 BindingDB Entry DOI: 10.7270/Q24Q7TZ7 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-... |
Bioorg Med Chem Lett 7: 47-52 (1997)
Article DOI: 10.1016/S0960-894X(96)00580-X BindingDB Entry DOI: 10.7270/Q2FN166R |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells |
Bioorg Med Chem Lett 7: 57-62 (1997)
Article DOI: 10.1016/S0960-894X(96)00582-3 BindingDB Entry DOI: 10.7270/Q29W0FG1 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PGE-2 production by arachidonic acid-stimulated CHO cells expressing human Prostaglandin G/H synthase 2 |
Bioorg Med Chem Lett 6: 2677-2682 (1996)
Article DOI: 10.1016/S0960-894X(96)00501-X BindingDB Entry DOI: 10.7270/Q2RB74M8 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound against human recombinant Prostaglandin G/H synthase 2 expressed in microsomes taken from baculovirus infected Sf... |
Bioorg Med Chem Lett 6: 87-92 (1996)
Article DOI: 10.1016/0960-894X(95)00564-A BindingDB Entry DOI: 10.7270/Q20C4VR4 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibitory activity against human Prostaglandin G/H synthase 2 |
Bioorg Med Chem Lett 6: 2907-2912 (1996)
Article DOI: 10.1016/S0960-894X(96)00513-6 BindingDB Entry DOI: 10.7270/Q2ZW1KWB |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ... |
Bioorg Med Chem Lett 19: 4509-14 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description Inhibition of COX2 assessed as PGF2alpha level by EIA |
Bioorg Med Chem Lett 20: 734-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.067 BindingDB Entry DOI: 10.7270/Q2Z31ZQQ |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma La Sapienza
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 expressed in baculovirus infected SF21 cell |
Eur J Med Chem 45: 6135-8 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.005 BindingDB Entry DOI: 10.7270/Q2PV6KMT |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre For Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of Prostaglandin G/H synthase 2 in human whole blood (HWB) assay |
Bioorg Med Chem Lett 9: 1715-20 (1999)
BindingDB Entry DOI: 10.7270/Q2BV7FSP |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay |
Bioorg Med Chem 21: 2355-62 (2013)
Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hacettepe
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 by fluorescence assay |
Bioorg Med Chem 20: 2912-22 (2012)
Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 41.6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hacettepe
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by fluorescence assay |
Bioorg Med Chem 20: 2912-22 (2012)
Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL KEGG PC cid PC sid UniChem
Patents
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| Article
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vivo ability to inhibit Prostaglandin G/H synthase 2 in human whole blood assay |
Bioorg Med Chem Lett 7: 57-62 (1997)
Article DOI: 10.1016/S0960-894X(96)00582-3 BindingDB Entry DOI: 10.7270/Q29W0FG1 |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| PubMed
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre For Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of Prostaglandin G/H synthase 2 in human whole blood (HWB) assay |
Bioorg Med Chem Lett 9: 1715-20 (1999)
BindingDB Entry DOI: 10.7270/Q2BV7FSP |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institutes of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi... |
J Med Chem 60: 4135-4146 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institutes of Biomedicine and Health
Curated by ChEMBL
| Assay Description Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon... |
J Med Chem 60: 4135-4146 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01484 BindingDB Entry DOI: 10.7270/Q2M32Z7Q |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus infected sf21 cells assessed as reduction in formation of oxidized TMPD using arachidonic acid as s... |
ACS Med Chem Lett 9: 1045-1050 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00352 BindingDB Entry DOI: 10.7270/Q21N83TH |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Patents
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| Article PubMed
| n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description Inhibition of COX1 in human platelet microsomes assessed as reduction in formation of oxidized TMPD using arachidonic acid as substrate preincubated ... |
ACS Med Chem Lett 9: 1045-1050 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00352 BindingDB Entry DOI: 10.7270/Q21N83TH |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
The M.S University of Baroda
Curated by ChEMBL
| Assay Description Inhibition of COX-2 (unknown origin) |
Eur J Med Chem 162: 1-17 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.054 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pusan National University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore... |
Eur J Med Chem 180: 86-98 (2019)
Article DOI: 10.1016/j.ejmech.2019.07.016 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50029600
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | 8.0 | 25 |
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.
| Assay Description Tested compounds (50 uM), DuP-597 (0.5 uM; positive control), 11f and 11eie(1 nM - 200 uM ) or vehicle were pre-incubated with COX-FIS assay buffer (... |
ACS Chem Biol 9: 1499-507 (2014)
Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295 |
More data for this Ligand-Target Pair | |