Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 2
Ligand
BDBM50124663
Substrate
n/a
Meas. Tech.
ChEMBL_159738 (CHEMBL762902)
IC50
5900±n/a nM
Citation
 Li, CS; Brideau, C; Chan, CC; Savoie, C; Claveau, D; Charleson, S; Gordon, R; Greig, G; Gauthier, JY; Lau, CK; Riendeau, D; Thérien, M; Wong, E; Prasit, P Pyridazinones as selective cyclooxygenase-2 inhibitors. Bioorg Med Chem Lett 13:597-600 (2003) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
Prostaglandin-endoperoxide synthase 2 | PHS II | Prostaglandin H2 synthase 2 | Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | PGH synthase 2 | PGHS-2 | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2) | PGH2_HUMAN | PTGS2 | COX2 | Prostaglandin E synthase/G/H synthase 2 | Cyclooxygenase
Type:
Enzyme
Mol. Mass.:
69003.89
Organism:
Human
Description:
Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI).
Residue:
604
Sequence:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKYQIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQNRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRVAGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEALYGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEVGFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50124663
Synonyms:
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-thiazol-2-ylmethyl-2H-pyridazin-3-one | CHEMBL157720
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CS(=O)(=O)c1ccc(cc1)-c1cnn(Cc2nccs2)c(=O)c1-c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: