Found 5 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)) | BDBM50063975
(CHEMBL3402596)Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(N)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C21H21FN2O4S/c1-3-28-21(25)12-16-11-20(15-7-9-19(10-8-15)29(23,26)27)24(14(16)2)18-6-4-5-17(22)13-18/h4-11,13H,3,12H2,1-2H3,(H2,23,26,27) | 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 | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma 'La Sapienza'
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 using PGEH2 as substrate after 10 mins by EIA |
Bioorg Med Chem 23: 810-20 (2015)
Article DOI: 10.1016/j.bmc.2014.12.041 BindingDB Entry DOI: 10.7270/Q2NV9KZ4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50063976
(CHEMBL3402597)Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(N)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN2O4S/c1-3-28-21(25)13-16-12-20(15-4-10-19(11-5-15)29(23,26)27)24(14(16)2)18-8-6-17(22)7-9-18/h4-12H,3,13H2,1-2H3,(H2,23,26,27) | 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 | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma 'La Sapienza'
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 using PGEH2 as substrate after 10 mins by EIA |
Bioorg Med Chem 23: 810-20 (2015)
Article DOI: 10.1016/j.bmc.2014.12.041 BindingDB Entry DOI: 10.7270/Q2NV9KZ4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50063974
(CHEMBL3402595)Show SMILES CC(C)NC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C23H25FN2O3S/c1-15(2)25-23(27)14-18-13-22(17-5-11-21(12-6-17)30(4,28)29)26(16(18)3)20-9-7-19(24)8-10-20/h5-13,15H,14H2,1-4H3,(H,25,27) | 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 | 4.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma 'La Sapienza'
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 using PGEH2 as substrate after 10 mins by EIA |
Bioorg Med Chem 23: 810-20 (2015)
Article DOI: 10.1016/j.bmc.2014.12.041 BindingDB Entry DOI: 10.7270/Q2NV9KZ4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50063978
(CHEMBL3402600)Show SMILES CCCNC(=O)Cc1cc(-c2ccc(cc2)S(N)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H24FN3O3S/c1-3-11-25-22(27)13-17-12-21(16-7-9-20(10-8-16)30(24,28)29)26(15(17)2)19-6-4-5-18(23)14-19/h4-10,12,14H,3,11,13H2,1-2H3,(H,25,27)(H2,24,28,29) | 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 | 5.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma 'La Sapienza'
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 using PGEH2 as substrate after 10 mins by EIA |
Bioorg Med Chem 23: 810-20 (2015)
Article DOI: 10.1016/j.bmc.2014.12.041 BindingDB Entry DOI: 10.7270/Q2NV9KZ4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50063973
(CHEMBL3402594)Show SMILES CC(C)NC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C23H25FN2O3S/c1-15(2)25-23(27)13-18-12-22(17-8-10-21(11-9-17)30(4,28)29)26(16(18)3)20-7-5-6-19(24)14-20/h5-12,14-15H,13H2,1-4H3,(H,25,27) | 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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma 'La Sapienza'
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 using PGEH2 as substrate after 10 mins by EIA |
Bioorg Med Chem 23: 810-20 (2015)
Article DOI: 10.1016/j.bmc.2014.12.041 BindingDB Entry DOI: 10.7270/Q2NV9KZ4 |
More data for this Ligand-Target Pair | |