Found 189 hits with Last Name = 'lambeth' and Initial = 'p' 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
(Homo sapiens (Human)) | BDBM50297677
(CHEMBL551829 | N-benzyl-4-(4-(methylsulfonyl)pheny...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCc2ccccc2)n1)C(F)(F)F Show InChI InChI=1S/C19H16F3N3O2S/c1-28(26,27)15-9-7-14(8-10-15)16-11-17(19(20,21)22)25-18(24-16)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297675
(CHEMBL551148 | N-(4-fluorobenzyl)-4-(4-(methylsulf...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCc2ccc(F)cc2)n1)C(F)(F)F Show InChI InChI=1S/C19H15F4N3O2S/c1-29(27,28)15-8-4-13(5-9-15)16-10-17(19(21,22)23)26-18(25-16)24-11-12-2-6-14(20)7-3-12/h2-10H,11H2,1H3,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153990
(4-[2-(4-Ethoxy-phenyl)-pyrazolo[1,5-b]pyridazin-3-...)Show SMILES CCOc1ccc(cc1)-c1nn2ncccc2c1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H18N4O3S/c1-2-27-16-9-5-15(6-10-16)20-19(18-4-3-13-22-24(18)23-20)14-7-11-17(12-8-14)28(21,25)26/h3-13H,2H2,1H3,(H2,21,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297669
(CHEMBL561891 | N-cyclohexyl-4-(4-(methylsulfonyl)p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NC2CCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C18H20F3N3O2S/c1-27(25,26)14-9-7-12(8-10-14)15-11-16(18(19,20)21)24-17(23-15)22-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | 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 treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297672
(CHEMBL549393 | N-butyl-4-(4-(methylsulfonyl)phenyl...)Show SMILES CCCCNc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H18F3N3O2S/c1-3-4-9-20-15-21-13(10-14(22-15)16(17,18)19)11-5-7-12(8-6-11)25(2,23)24/h5-8,10H,3-4,9H2,1-2H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297671
(4-(2-(butylamino)-6-(trifluoromethyl)pyrimidin-4-y...)Show SMILES CCCCNc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H17F3N4O2S/c1-2-3-8-20-14-21-12(9-13(22-14)15(16,17)18)10-4-6-11(7-5-10)25(19,23)24/h4-7,9H,2-3,8H2,1H3,(H2,19,23,24)(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.40 | 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 treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297670
(CHEMBL539663 | GW-637185X | N-sec-butyl-4-(4-(meth...)Show SMILES CCC(C)Nc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H18F3N3O2S/c1-4-10(2)20-15-21-13(9-14(22-15)16(17,18)19)11-5-7-12(8-6-11)25(3,23)24/h5-10H,4H2,1-3H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153994
(3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyrazolo[1,5...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nn2ncccc12)-c1ccccc1 Show InChI InChI=1S/C19H15N3O2S/c1-25(23,24)16-11-9-14(10-12-16)18-17-8-5-13-20-22(17)21-19(18)15-6-3-2-4-7-15/h2-13H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297668
(4-(2-(cyclohexylamino)-6-(trifluoromethyl)pyrimidi...)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(nc(NC2CCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O2S/c18-17(19,20)15-10-14(11-6-8-13(9-7-11)27(21,25)26)23-16(24-15)22-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,21,25,26)(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297664
(CHEMBL559613 | N-methyl-4-(4-(methylsulfonyl)pheny...)Show SMILES CN(c1ccc(C)cc1)c1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18F3N3O2S/c1-13-4-8-15(9-5-13)26(2)19-24-17(12-18(25-19)20(21,22)23)14-6-10-16(11-7-14)29(3,27)28/h4-12H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153982
(2-(4-Ethoxy-phenyl)-3-(4-methanesulfonyl-phenyl)-p...)Show SMILES CCOc1ccc(cc1)-c1nn2ncccc2c1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H19N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14H,3H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297673
(4-(4-(methylsulfonyl)phenyl)-N-propyl-6-(trifluoro...)Show SMILES CCCNc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C15H16F3N3O2S/c1-3-8-19-14-20-12(9-13(21-14)15(16,17)18)10-4-6-11(7-5-10)24(2,22)23/h4-7,9H,3,8H2,1-2H3,(H,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297665
(4-(4-(methylsulfonyl)phenyl)-N-((tetrahydro-2H-pyr...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCC2CCOCC2)n1)C(F)(F)F Show InChI InChI=1S/C18H20F3N3O3S/c1-28(25,26)14-4-2-13(3-5-14)15-10-16(18(19,20)21)24-17(23-15)22-11-12-6-8-27-9-7-12/h2-5,10,12H,6-9,11H2,1H3,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297680
(4-(4-(methylsulfonyl)phenyl)-N-phenyl-6-(trifluoro...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(Nc2ccccc2)n1)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-9-7-12(8-10-14)15-11-16(18(19,20)21)24-17(23-15)22-13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297678
(CHEMBL561086 | N-(4-fluorophenyl)-4-(4-(methylsulf...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(Nc2ccc(F)cc2)n1)C(F)(F)F Show InChI InChI=1S/C18H13F4N3O2S/c1-28(26,27)14-8-2-11(3-9-14)15-10-16(18(20,21)22)25-17(24-15)23-13-6-4-12(19)5-7-13/h2-10H,1H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297677
(CHEMBL551829 | N-benzyl-4-(4-(methylsulfonyl)pheny...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCc2ccccc2)n1)C(F)(F)F Show InChI InChI=1S/C19H16F3N3O2S/c1-28(26,27)15-9-7-14(8-10-15)16-11-17(19(20,21)22)25-18(24-16)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of lipopolysaccharide-stimulated PGE2 production after 24 hrs by enzyme immunoassay |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297689
(4-(4-(methylsulfonyl)phenyl)-2-(m-tolyloxy)-6-(tri...)Show SMILES Cc1cccc(Oc2nc(cc(n2)C(F)(F)F)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C19H15F3N2O3S/c1-12-4-3-5-14(10-12)27-18-23-16(11-17(24-18)19(20,21)22)13-6-8-15(9-7-13)28(2,25)26/h3-11H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297687
(2-(cyclopentyloxy)-4-(4-(methylsulfonyl)phenyl)-6-...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCC2)n1)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O3S/c1-26(23,24)13-8-6-11(7-9-13)14-10-15(17(18,19)20)22-16(21-14)25-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153987
(4-[2-(4-Fluoro-phenyl)-pyrazolo[1,5-b]pyridazin-3-...)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(nn2ncccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C18H13FN4O2S/c19-14-7-3-13(4-8-14)18-17(16-2-1-11-21-23(16)22-18)12-5-9-15(10-6-12)26(20,24)25/h1-11H,(H2,20,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297690
(4-(4-(methylsulfonyl)phenyl)-2-(p-tolyloxy)-6-(tri...)Show SMILES Cc1ccc(Oc2nc(cc(n2)C(F)(F)F)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C19H15F3N2O3S/c1-12-3-7-14(8-4-12)27-18-23-16(11-17(24-18)19(20,21)22)13-5-9-15(10-6-13)28(2,25)26/h3-11H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297685
(2-(cycloheptyloxy)-4-(4-(methylsulfonyl)phenyl)-6-...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C19H21F3N2O3S/c1-28(25,26)15-10-8-13(9-11-15)16-12-17(19(20,21)22)24-18(23-16)27-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297684
(2-(cyclooctyloxy)-4-(4-(methylsulfonyl)phenyl)-6-(...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C20H23F3N2O3S/c1-29(26,27)16-11-9-14(10-12-16)17-13-18(20(21,22)23)25-19(24-17)28-15-7-5-3-2-4-6-8-15/h9-13,15H,2-8H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297676
(CHEMBL551830 | N-(4-methylbenzyl)-4-(4-(methylsulf...)Show SMILES Cc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18F3N3O2S/c1-13-3-5-14(6-4-13)12-24-19-25-17(11-18(26-19)20(21,22)23)15-7-9-16(10-8-15)29(2,27)28/h3-11H,12H2,1-2H3,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <10 | 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 treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297688
(2-cyclobutoxy-4-(4-(methylsulfonyl)phenyl)-6-(trif...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCC2)n1)C(F)(F)F Show InChI InChI=1S/C16H15F3N2O3S/c1-25(22,23)12-7-5-10(6-8-12)13-9-14(16(17,18)19)21-15(20-13)24-11-3-2-4-11/h5-9,11H,2-4H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297686
(2-(cyclohexyloxy)-4-(4-(methylsulfonyl)phenyl)-6-(...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O3S/c1-27(24,25)14-9-7-12(8-10-14)15-11-16(18(19,20)21)23-17(22-15)26-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153989
(3-(4-Methanesulfonyl-phenyl)-2-(4-methoxy-phenyl)-...)Show SMILES COc1ccc(cc1)-c1nn2ncccc2c1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H17N3O3S/c1-26-16-9-5-15(6-10-16)20-19(18-4-3-13-21-23(18)22-20)14-7-11-17(12-8-14)27(2,24)25/h3-13H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297679
(4-(4-(methylsulfonyl)phenyl)-N-p-tolyl-6-(trifluor...)Show SMILES Cc1ccc(Nc2nc(cc(n2)C(F)(F)F)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C19H16F3N3O2S/c1-12-3-7-14(8-4-12)23-18-24-16(11-17(25-18)19(20,21)22)13-5-9-15(10-6-13)28(2,26)27/h3-11H,1-2H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297695
(2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-(meth...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(CC2CCCCC2)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C24H25FN2O2S/c1-30(28,29)21-13-9-18(10-14-21)22-16-26-23(15-17-5-3-2-4-6-17)27-24(22)19-7-11-20(25)12-8-19/h7-14,16-17H,2-6,15H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297670
(CHEMBL539663 | GW-637185X | N-sec-butyl-4-(4-(meth...)Show SMILES CCC(C)Nc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H18F3N3O2S/c1-4-10(2)20-15-21-13(9-14(22-15)16(17,18)19)11-5-7-12(8-6-11)25(3,23)24/h5-10H,4H2,1-3H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153981
(4-[2-(4-Ethoxy-phenyl)-6-methylsulfanyl-pyrazolo[1...)Show SMILES CCOc1ccc(cc1)-c1nn2nc(SC)ccc2c1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H20N4O3S2/c1-3-28-16-8-4-15(5-9-16)21-20(14-6-10-17(11-7-14)30(22,26)27)18-12-13-19(29-2)23-25(18)24-21/h4-13H,3H2,1-2H3,(H2,22,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297661
(CHEMBL560284 | N-cyclohexyl-4-(4-(methylsulfonyl)p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(OCC(F)(F)F)nc(NC2CCCCC2)n1 Show InChI InChI=1S/C19H22F3N3O3S/c1-29(26,27)15-9-7-13(8-10-15)16-11-17(28-12-19(20,21)22)25-18(24-16)23-14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153997
(3-(4-Methanesulfonyl-phenyl)-2-p-tolyl-pyrazolo[1,...)Show SMILES Cc1ccc(cc1)-c1nn2ncccc2c1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H17N3O2S/c1-14-5-7-16(8-6-14)20-19(18-4-3-13-21-23(18)22-20)15-9-11-17(12-10-15)26(2,24)25/h3-13H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297666
(4-(4-(methylsulfonyl)phenyl)-N-(tetrahydro-2H-pyra...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NC2CCOCC2)n1)C(F)(F)F Show InChI InChI=1S/C17H18F3N3O3S/c1-27(24,25)13-4-2-11(3-5-13)14-10-15(17(18,19)20)23-16(22-14)21-12-6-8-26-9-7-12/h2-5,10,12H,6-9H2,1H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297683
(2-(cyclopentylmethoxy)-4-(4-(methylsulfonyl)phenyl...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OCC2CCCC2)n1)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O3S/c1-27(24,25)14-8-6-13(7-9-14)15-10-16(18(19,20)21)23-17(22-15)26-11-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297681
(2-butoxy-4-(4-(methylsulfonyl)phenyl)-6-(trifluoro...)Show SMILES CCCCOc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H17F3N2O3S/c1-3-4-9-24-15-20-13(10-14(21-15)16(17,18)19)11-5-7-12(8-6-11)25(2,22)23/h5-8,10H,3-4,9H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297696
(4-(4-fluorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)met...)Show SMILES Cn1cccc1Cc1ncc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H20FN3O2S/c1-27-13-3-4-19(27)14-22-25-15-21(16-7-11-20(12-8-16)30(2,28)29)23(26-22)17-5-9-18(24)10-6-17/h3-13,15H,14H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153991
(2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-6...)Show SMILES Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H16FN3O2S/c1-13-3-12-18-19(14-6-10-17(11-7-14)27(2,25)26)20(23-24(18)22-13)15-4-8-16(21)9-5-15/h3-12H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153992
(4-[2-(4-Fluoro-phenyl)-6-methoxy-pyrazolo[1,5-b]py...)Show SMILES COc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H15FN4O3S/c1-27-17-11-10-16-18(12-4-8-15(9-5-12)28(21,25)26)19(23-24(16)22-17)13-2-6-14(20)7-3-13/h2-11H,1H3,(H2,21,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297667
(CHEMBL550473 | N-(cyclohexylmethyl)-4-(4-(methylsu...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCC2CCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C19H22F3N3O2S/c1-28(26,27)15-9-7-14(8-10-15)16-11-17(19(20,21)22)25-18(24-16)23-12-13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153980
(3-(4-Methanesulfonyl-phenyl)-6-methyl-2-phenyl-pyr...)Show SMILES Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H17N3O2S/c1-14-8-13-18-19(15-9-11-17(12-10-15)26(2,24)25)20(22-23(18)21-14)16-6-4-3-5-7-16/h3-13H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM22369
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM22369
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 32 | 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 treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297691
(2-tert-butoxy-4-(4-(methylsulfonyl)phenyl)-6-(trif...)Show SMILES CC(C)(C)Oc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H17F3N2O3S/c1-15(2,3)24-14-20-12(9-13(21-14)16(17,18)19)10-5-7-11(8-6-10)25(4,22)23/h5-9H,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153998
(2-(3-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nn2ncccc12)-c1cccc(F)c1 Show InChI InChI=1S/C19H14FN3O2S/c1-26(24,25)16-9-7-13(8-10-16)18-17-6-3-11-21-23(17)22-19(18)14-4-2-5-15(20)12-14/h2-12H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153985
(2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nn2ncccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H14FN3O2S/c1-26(24,25)16-10-6-13(7-11-16)18-17-3-2-12-21-23(17)22-19(18)14-4-8-15(20)9-5-14/h2-12H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297709
(2-((4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(Cc2ccccc2O)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN2O3S/c1-31(29,30)20-12-8-16(9-13-20)21-15-26-23(14-18-4-2-3-5-22(18)28)27-24(21)17-6-10-19(25)11-7-17/h2-13,15,28H,14H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 43 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153984
(6-Ethoxy-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-...)Show SMILES CCOc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H18FN3O3S/c1-3-28-19-13-12-18-20(14-6-10-17(11-7-14)29(2,26)27)21(24-25(18)23-19)15-4-8-16(22)9-5-15/h4-13H,3H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297682
(2-(cyclohexylmethoxy)-4-(4-(methylsulfonyl)phenyl)...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OCC2CCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C19H21F3N2O3S/c1-28(25,26)15-9-7-14(8-10-15)16-11-17(19(20,21)22)24-18(23-16)27-12-13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50153996
(6-Ethyl-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)Show SMILES CCc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H18FN3O2S/c1-3-17-10-13-19-20(14-6-11-18(12-7-14)28(2,26)27)21(24-25(19)23-17)15-4-8-16(22)9-5-15/h4-13H,3H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human cyclooxygenase-2 expressed in COS cells |
Bioorg Med Chem Lett 14: 5445-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.089 BindingDB Entry DOI: 10.7270/Q2RJ4HZ7 |
More data for this Ligand-Target Pair | |