Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50033021 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
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 by fluorescence assay |
Bioorg Med Chem Lett 21: 1823-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.057 BindingDB Entry DOI: 10.7270/Q2KD1Z6P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50338296
(1-(4-methoxyphenyl)-5-(4-(methylsulfonyl)phenyl)-1...)Show InChI InChI=1S/C15H14N4O3S/c1-22-13-7-5-12(6-8-13)19-15(16-17-18-19)11-3-9-14(10-4-11)23(2,20)21/h3-10H,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 | 2.00E+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 COX-2 by fluorescence assay |
Bioorg Med Chem Lett 21: 1823-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.057 BindingDB Entry DOI: 10.7270/Q2KD1Z6P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50338297
(1-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)-1H...)Show InChI InChI=1S/C14H11FN4O2S/c1-22(20,21)13-8-2-10(3-9-13)14-16-17-18-19(14)12-6-4-11(15)5-7-12/h2-9H,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 | 2.70E+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 COX-2 by fluorescence assay |
Bioorg Med Chem Lett 21: 1823-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.057 BindingDB Entry DOI: 10.7270/Q2KD1Z6P |
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 | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 by fluorescence assay |
Bioorg Med Chem Lett 21: 1823-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.057 BindingDB Entry DOI: 10.7270/Q2KD1Z6P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50338295
(5-(4-(methylsulfonyl)phenyl)-1-p-tolyl-1H-tetrazol...)Show InChI InChI=1S/C15H14N4O2S/c1-11-3-7-13(8-4-11)19-15(16-17-18-19)12-5-9-14(10-6-12)22(2,20)21/h3-10H,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 | 4.50E+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 COX-2 by fluorescence assay |
Bioorg Med Chem Lett 21: 1823-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.057 BindingDB Entry DOI: 10.7270/Q2KD1Z6P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50338298
(1-(4-chlorophenyl)-5-(4-(methylsulfonyl)phenyl)-1H...)Show InChI InChI=1S/C14H11ClN4O2S/c1-22(20,21)13-8-2-10(3-9-13)14-16-17-18-19(14)12-6-4-11(15)5-7-12/h2-9H,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 | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 by fluorescence assay |
Bioorg Med Chem Lett 21: 1823-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.057 BindingDB Entry DOI: 10.7270/Q2KD1Z6P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50338294
(5-(4-(methylsulfonyl)phenyl)-1-phenyl-1H-tetrazole...)Show InChI InChI=1S/C14H12N4O2S/c1-21(19,20)13-9-7-11(8-10-13)14-15-16-17-18(14)12-5-3-2-4-6-12/h2-10H,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 | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 by fluorescence assay |
Bioorg Med Chem Lett 21: 1823-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.057 BindingDB Entry DOI: 10.7270/Q2KD1Z6P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50338296
(1-(4-methoxyphenyl)-5-(4-(methylsulfonyl)phenyl)-1...)Show InChI InChI=1S/C15H14N4O3S/c1-22-13-7-5-12(6-8-13)19-15(16-17-18-19)11-3-9-14(10-4-11)23(2,20)21/h3-10H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 by fluorescence assay |
Bioorg Med Chem Lett 21: 1823-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.057 BindingDB Entry DOI: 10.7270/Q2KD1Z6P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50338298
(1-(4-chlorophenyl)-5-(4-(methylsulfonyl)phenyl)-1H...)Show InChI InChI=1S/C14H11ClN4O2S/c1-22(20,21)13-8-2-10(3-9-13)14-16-17-18-19(14)12-6-4-11(15)5-7-12/h2-9H,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 by fluorescence assay |
Bioorg Med Chem Lett 21: 1823-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.057 BindingDB Entry DOI: 10.7270/Q2KD1Z6P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50338297
(1-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)-1H...)Show InChI InChI=1S/C14H11FN4O2S/c1-22(20,21)13-8-2-10(3-9-13)14-16-17-18-19(14)12-6-4-11(15)5-7-12/h2-9H,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 by fluorescence assay |
Bioorg Med Chem Lett 21: 1823-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.057 BindingDB Entry DOI: 10.7270/Q2KD1Z6P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50338294
(5-(4-(methylsulfonyl)phenyl)-1-phenyl-1H-tetrazole...)Show InChI InChI=1S/C14H12N4O2S/c1-21(19,20)13-9-7-11(8-10-13)14-15-16-17-18(14)12-5-3-2-4-6-12/h2-10H,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 by fluorescence assay |
Bioorg Med Chem Lett 21: 1823-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.057 BindingDB Entry DOI: 10.7270/Q2KD1Z6P |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50338295
(5-(4-(methylsulfonyl)phenyl)-1-p-tolyl-1H-tetrazol...)Show InChI InChI=1S/C15H14N4O2S/c1-11-3-7-13(8-4-11)19-15(16-17-18-19)12-5-9-14(10-6-12)22(2,20)21/h3-10H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 by fluorescence assay |
Bioorg Med Chem Lett 21: 1823-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.057 BindingDB Entry DOI: 10.7270/Q2KD1Z6P |
More data for this Ligand-Target Pair | |