Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50373579' 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)) | BDBM50373579
(CHEMBL271614)Show SMILES CC(C)Nc1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H22N4O2S2/c1-13(2)21-18-11-17(20-12-15-5-4-10-26-15)22-19(23-18)14-6-8-16(9-7-14)27(3,24)25/h4-11,13H,12H2,1-3H3,(H2,20,21,22,23) | 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 | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Faes Farma S.A.
Curated by ChEMBL
| Assay Description Inhibition of human COX2 in human whole blood |
Bioorg Med Chem 16: 2183-99 (2008)
Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50373579
(CHEMBL271614)Show SMILES CC(C)Nc1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H22N4O2S2/c1-13(2)21-18-11-17(20-12-15-5-4-10-26-15)22-19(23-18)14-6-8-16(9-7-14)27(3,24)25/h4-11,13H,12H2,1-3H3,(H2,20,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 9.70E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of COX2 in Homo sapiens (human) whole blood |
Citation and Details
Article DOI: 10.1007/s00044-011-9566-8 BindingDB Entry DOI: 10.7270/Q2Q81GZM |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50373579
(CHEMBL271614)Show SMILES CC(C)Nc1cc(NCc2cccs2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H22N4O2S2/c1-13(2)21-18-11-17(20-12-15-5-4-10-26-15)22-19(23-18)14-6-8-16(9-7-14)27(3,24)25/h4-11,13H,12H2,1-3H3,(H2,20,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 9.71E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of COX2 in Homo sapiens (human) whole blood |
Citation and Details
Article DOI: 10.1007/s00044-011-9566-8 BindingDB Entry DOI: 10.7270/Q2Q81GZM |
More data for this Ligand-Target Pair | |