Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50031094 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)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM22360
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50009859
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) | 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
| DrugBank PDB Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM22360
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50009859
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50306910
(4-(4-(1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1=CCN(CCCCO[N+]([O-])=O)CC1)C(F)(F)F |t:17| Show InChI InChI=1S/C19H22F3N5O5S/c20-19(21,22)18-13-17(26(24-18)15-3-5-16(6-4-15)33(23,30)31)14-7-10-25(11-8-14)9-1-2-12-32-27(28)29/h3-7,13H,1-2,8-12H2,(H2,23,30,31) | 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 | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50306909
(4-(4-(1-(4-(methylsulfonyl)phenyl)-3-(trifluoromet...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1=CCN(CCCCO[N+]([O-])=O)CC1)C(F)(F)F |t:17| Show InChI InChI=1S/C20H23F3N4O5S/c1-33(30,31)17-6-4-16(5-7-17)26-18(14-19(24-26)20(21,22)23)15-8-11-25(12-9-15)10-2-3-13-32-27(28)29/h4-8,14H,2-3,9-13H2,1H3 | 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 | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50306907
(4-(4-(1-(4-(methylsulfonyl)phenyl)-3-(trifluoromet...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1CCN(CCCCO[N+]([O-])=O)CC1)C(F)(F)F Show InChI InChI=1S/C20H25F3N4O5S/c1-33(30,31)17-6-4-16(5-7-17)26-18(14-19(24-26)20(21,22)23)15-8-11-25(12-9-15)10-2-3-13-32-27(28)29/h4-7,14-15H,2-3,8-13H2,1H3 | 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 | 1.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50306910
(4-(4-(1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1=CCN(CCCCO[N+]([O-])=O)CC1)C(F)(F)F |t:17| Show InChI InChI=1S/C19H22F3N5O5S/c20-19(21,22)18-13-17(26(24-18)15-3-5-16(6-4-15)33(23,30)31)14-7-10-25(11-8-14)9-1-2-12-32-27(28)29/h3-7,13H,1-2,8-12H2,(H2,23,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50306908
(4-(4-(1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1CCN(CCCCO[N+]([O-])=O)CC1)C(F)(F)F Show InChI InChI=1S/C19H24F3N5O5S/c20-19(21,22)18-13-17(26(24-18)15-3-5-16(6-4-15)33(23,30)31)14-7-10-25(11-8-14)9-1-2-12-32-27(28)29/h3-6,13-14H,1-2,7-12H2,(H2,23,30,31) | 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 | 1.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50306908
(4-(4-(1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1CCN(CCCCO[N+]([O-])=O)CC1)C(F)(F)F Show InChI InChI=1S/C19H24F3N5O5S/c20-19(21,22)18-13-17(26(24-18)15-3-5-16(6-4-15)33(23,30)31)14-7-10-25(11-8-14)9-1-2-12-32-27(28)29/h3-6,13-14H,1-2,7-12H2,(H2,23,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50306909
(4-(4-(1-(4-(methylsulfonyl)phenyl)-3-(trifluoromet...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1=CCN(CCCCO[N+]([O-])=O)CC1)C(F)(F)F |t:17| Show InChI InChI=1S/C20H23F3N4O5S/c1-33(30,31)17-6-4-16(5-7-17)26-18(14-19(24-26)20(21,22)23)15-8-11-25(12-9-15)10-2-3-13-32-27(28)29/h4-8,14H,2-3,9-13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50306907
(4-(4-(1-(4-(methylsulfonyl)phenyl)-3-(trifluoromet...)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1CCN(CCCCO[N+]([O-])=O)CC1)C(F)(F)F Show InChI InChI=1S/C20H25F3N4O5S/c1-33(30,31)17-6-4-16(5-7-17)26-18(14-19(24-26)20(21,22)23)15-8-11-25(12-9-15)10-2-3-13-32-27(28)29/h4-7,14-15H,2-3,8-13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 by enzyme immunoassay |
Bioorg Med Chem Lett 20: 1324-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV |
More data for this Ligand-Target Pair | |