Found 8 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
(Mus musculus (Mouse)) | BDBM50293280
(3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...)Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of COX2 in mouse peritoneal macrophages |
Bioorg Med Chem Lett 19: 2270-2 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.090 BindingDB Entry DOI: 10.7270/Q2CF9PZR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50293282
(CHEMBL504535 | Imrecoxib)Show SMILES CCCN1CC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
Chinese Academy of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of COX2 in mouse peritoneal macrophages |
Bioorg Med Chem Lett 19: 2270-2 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.090 BindingDB Entry DOI: 10.7270/Q2CF9PZR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Mus musculus) | BDBM50293280
(3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...)Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of COX1 in mouse peritoneal macrophages |
Bioorg Med Chem Lett 19: 2270-2 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.090 BindingDB Entry DOI: 10.7270/Q2CF9PZR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50293280
(3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...)Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3 | 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 | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of LPS-induced COX2 activity |
Bioorg Med Chem Lett 19: 2270-2 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.090 BindingDB Entry DOI: 10.7270/Q2CF9PZR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Mus musculus) | BDBM50293282
(CHEMBL504535 | Imrecoxib)Show SMILES CCCN1CC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of COX1 in mouse peritoneal macrophages |
Bioorg Med Chem Lett 19: 2270-2 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.090 BindingDB Entry DOI: 10.7270/Q2CF9PZR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50293281
(4-(4-(4-(methylsulfonyl)phenyl)-2-oxo-1-propyl-2,5...)Show SMILES CCCN1CC(=C(C1=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H21NO5S/c1-3-12-22-13-18(14-8-10-17(11-9-14)28(2,26)27)19(20(22)23)15-4-6-16(7-5-15)21(24)25/h4-11H,3,12-13H2,1-2H3,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 409 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of COX2 in mouse peritoneal macrophages |
Bioorg Med Chem Lett 19: 2270-2 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.090 BindingDB Entry DOI: 10.7270/Q2CF9PZR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Mus musculus) | BDBM50293281
(4-(4-(4-(methylsulfonyl)phenyl)-2-oxo-1-propyl-2,5...)Show SMILES CCCN1CC(=C(C1=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H21NO5S/c1-3-12-22-13-18(14-8-10-17(11-9-14)28(2,26)27)19(20(22)23)15-4-6-16(7-5-15)21(24)25/h4-11H,3,12-13H2,1-2H3,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of COX1 in mouse peritoneal macrophages |
Bioorg Med Chem Lett 19: 2270-2 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.090 BindingDB Entry DOI: 10.7270/Q2CF9PZR |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50293281
(4-(4-(4-(methylsulfonyl)phenyl)-2-oxo-1-propyl-2,5...)Show SMILES CCCN1CC(=C(C1=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H21NO5S/c1-3-12-22-13-18(14-8-10-17(11-9-14)28(2,26)27)19(20(22)23)15-4-6-16(7-5-15)21(24)25/h4-11H,3,12-13H2,1-2H3,(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of calcimycin-induced COX1 activity |
Bioorg Med Chem Lett 19: 2270-2 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.090 BindingDB Entry DOI: 10.7270/Q2CF9PZR |
More data for this Ligand-Target Pair | |