Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Prostaglandin G/H synthase 2 | ||
Ligand | BDBM50422583 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_307272 (CHEMBL831657) | ||
IC50 | 3801894±n/a nM | ||
Citation | Prasanna, S; Manivannan, E; Chaturvedi, SC Quantitative structure-activity relationship analysis of a series of 2,3-diaryl benzopyran analogues as novel selective cyclooxygenase-2 inhibitors. Bioorg Med Chem Lett14:4005-11 (2004) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Prostaglandin G/H synthase 2 | |||
Name: | Prostaglandin G/H synthase 2 | ||
Synonyms: | Cox-2 | Cox2 | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2) | Glucocorticoid-regulated inflammatory cyclooxygenase | Gripghs | Macrophage activation-associated marker protein P71/73 | PES-2 | PGH synthase 2 | PGH2_MOUSE | PGHS-2 | PHS II | Pghs-b | Prostaglandin G/H synthase (cyclooxygenase) | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2 | Ptgs2 | TIS10 protein | Tis10 | ||
Type: | Protein | ||
Mol. Mass.: | 69020.39 | ||
Organism: | Mus musculus (Mouse) | ||
Description: | Q05769 | ||
Residue: | 604 | ||
Sequence: |
| ||
BDBM50422583 | |||
n/a | |||
Name | BDBM50422583 | ||
Synonyms: | CHEMBL134774 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H18O4S | ||
Mol. Mass. | 426.484 | ||
SMILES | CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc2ccccc12 |(12.3,-6.58,;10.94,-5.8,;11.72,-4.44,;10.16,-7.15,;9.59,-5.01,;9.59,-3.47,;8.24,-2.7,;6.91,-3.47,;6.91,-5.01,;8.24,-5.78,;5.57,-2.7,;4.22,-3.47,;2.9,-2.7,;1.57,-3.47,;.22,-2.7,;.22,-1.15,;1.57,-.38,;2.9,-1.15,;4.22,-.38,;4.22,1.16,;5.57,-1.15,;6.91,-.38,;8.24,-1.15,;9.57,-.38,;9.57,1.16,;8.23,1.92,;8.21,3.45,;6.9,4.22,;5.56,3.44,;5.57,1.91,;6.91,1.16,)| | ||
Structure |