Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 2
Ligand
BDBM50029593
Substrate
n/a
Meas. Tech.
ChEMBL_578974 (CHEMBL1061423)
IC50
2600±n/a nM
Citation
 Schühly, W; Hüfner, A; Pferschy-Wenzig, EM; Prettner, E; Adams, M; Bodensieck, A; Kunert, O; Oluwemimo, A; Haslinger, E; Bauer, R Design and synthesis of ten biphenyl-neolignan derivatives and their in vitro inhibitory potency against cyclooxygenase-1/2 activity and 5-lipoxygenase-mediated LTB4-formation. Bioorg Med Chem 17:4459-65 (2009) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
COX2 | Cyclooxygenase-1 (COX-1) | Cyclooxygenase-2 (COX-2) | PGH2_SHEEP | PTGS2 | Prostaglandin G/H synthase (Cyclooxygenase-2) | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Protein
Mol. Mass.:
68976.98
Organism:
Ovis aries (Sheep)
Description:
n/a
Residue:
603
Sequence:
MLARALLLCAAVVCGAANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPDTVHYILTHFKGVWNIVNKISFLRNMIMRYVLTSRSHLIESPPTYNVHYSYKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGRKELPDSKEVVKKVLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTDIERGPAFTKGKNHGVDLSHVYGESLERQHNRRLFKDGKMKYQMINGEMYPPTVKDTQVEMIYPPHIPEHLKFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIAAEFNTLYHWHPLLPDVFQIDGQEYNYQQFIYNNSVLLEHGVTQFVESFTRQIAGRVAGRRNLPAAVEKVSKASLDQSREMKYQSFNEYRKRFLLKPYESFEELTGEKEMAAELEALYGDIDAMELYPALLVEKPAPDAIFGETMVEAGAPFSLKGLMGNPICSPEYWKPSTFGGEVGFKIINTASIQSLICSNVKGCPFTSFSVQDAHLTKTVTINASSSHSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50029593
Synonyms:
CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)methanesulfonamide | N-(2-Cyclohexyloxy-4-nitro-phenyl)-methanesulfonamide | N-(2-Cyclohexyloxy-4-nitro-phenyl)-methanesulfonamide(NS-398) | N-[2-(cyclohexyloxy)-4-nitrophenyl]methane sulfonamide | N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide | N-{2-(cyclohexyloxy)-4-[hydroxy(oxido)amino]phenyl}methanesulfonamide | NS-398 | NS398
Type:
Small organic molecule
Emp. Form.:
C13H18N2O5S
Mol. Mass.:
314.357
SMILES:
CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: