Found 11 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Prostaglandin G/H synthase 2
(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 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50305810
(1H-3-(4-sulfamoylphenyl)-4-phenyl-pyrrole-2,5-dion...)Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccccc1 |t:11| Show InChI InChI=1S/C16H12N2O4S/c17-23(21,22)12-8-6-11(7-9-12)14-13(15(19)18-16(14)20)10-4-2-1-3-5-10/h1-9H,(H2,17,21,22)(H,18,19,20) | 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 |
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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50305806
(3-(3,4-dihydroxyphenyl)-4-phenyl-1H-pyrrole-2,5-di...)Show InChI InChI=1S/C16H11NO4/c18-11-7-6-10(8-12(11)19)14-13(15(20)17-16(14)21)9-4-2-1-3-5-9/h1-8,18-19H,(H,17,20,21) | 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 | 1.60E+4 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50305808
(3-(4-(methylthio)phenyl)-4-phenyl-1H-pyrrole-2,5-d...)Show InChI InChI=1S/C17H13NO2S/c1-21-13-9-7-12(8-10-13)15-14(16(19)18-17(15)20)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19,20) | 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 | 1.63E+4 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50305804
(4-(4-(4-(methylsulfonyl)phenyl)-2,5-dioxo-2,5-dihy...)Show SMILES CC(=O)Oc1ccc(cc1)C1=C(C(=O)OC1=O)c1ccc(cc1)S(C)(=O)=O |t:11| Show InChI InChI=1S/C19H14O7S/c1-11(20)25-14-7-3-12(4-8-14)16-17(19(22)26-18(16)21)13-5-9-15(10-6-13)27(2,23)24/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 | 1.66E+4 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50305809
(3-(4-(methylsulfonyl)phenyl)-4-phenyl-1H-pyrrole-2...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccccc1 |t:11| Show InChI InChI=1S/C17H13NO4S/c1-23(21,22)13-9-7-12(8-10-13)15-14(16(19)18-17(15)20)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19,20) | 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 | 1.75E+4 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50305807
(3-phenyl-4-(3,4,5-trihydroxyphenyl)-1H-pyrrole-2,5...)Show SMILES Oc1cc(cc(O)c1O)C1=C(C(=O)NC1=O)c1ccccc1 |t:10| Show InChI InChI=1S/C16H11NO5/c18-10-6-9(7-11(19)14(10)20)13-12(15(21)17-16(13)22)8-4-2-1-3-5-8/h1-7,18-20H,(H,17,21,22) | 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 | 1.75E+4 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50305803
(3-(4-(methylthio)phenyl)-4-phenylfuran-2,5-dione |...)Show InChI InChI=1S/C17H12O3S/c1-21-13-9-7-12(8-10-13)15-14(16(18)20-17(15)19)11-5-3-2-4-6-11/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 | 1.85E+4 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50305802
(3-(benzo[d][1,3]dioxol-5-yl)-4-phenylfuran-2,5-dio...)Show SMILES O=C1OC(=O)C(=C1c1ccccc1)c1ccc2OCOc2c1 |c:5| Show InChI InChI=1S/C17H10O5/c18-16-14(10-4-2-1-3-5-10)15(17(19)22-16)11-6-7-12-13(8-11)21-9-20-12/h1-8H,9H2 | 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 | 1.85E+4 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50305805
(CHEMBL595852 | N-(4-(4-(4-(methylthio)phenyl)-2,5-...)Show SMILES CSc1ccc(cc1)C1=C(C(=O)OC1=O)c1ccc(NC(C)=O)cc1 |t:9| Show InChI InChI=1S/C19H15NO4S/c1-11(21)20-14-7-3-12(4-8-14)16-17(19(23)24-18(16)22)13-5-9-15(25-2)10-6-13/h3-10H,1-2H3,(H,20,21) | 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 | 2.01E+4 | 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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50305811
(3-(4-hydroxyphenyl)-4-(4-(methylthio)phenyl)-1H-py...)Show SMILES CSc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(O)cc1 |t:9| Show InChI InChI=1S/C17H13NO3S/c1-22-13-8-4-11(5-9-13)15-14(16(20)18-17(15)21)10-2-6-12(19)7-3-10/h2-9,19H,1H3,(H,18,20,21) | 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 | 2.10E+4 | 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 | |