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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50289086
Substrate
n/a
Meas. Tech.
ChEBML_157856
IC50
60±n/a nM
Citation
 Black, WC; Bayly, C; Belley, M; Chan, CC; Charleson, S; Denis, D; Gauthier, JY; Gordon, R; Guay, D; Kargman, S; Lau, CK; Leblanc, Y; Mancini, J; Ouellet, M; Percival, D; Roy, P; Skorey, K; Tagari, P; Vickers, P; Wong, E From indomethacin to a selective COX-2 inhibitor: Development of indolalkanoic acids as potent and selective cyclooxygenase-2 inhibitors Bioorg Med Chem Lett 6:725-730 (1996)    Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
Cox-2 | Cox2 | Cyclooxygenase | PGH2_RAT | Ptgs2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
69173.51
Organism:
RAT
Description:
COX-2 0 RAT::P35355
Residue:
604
Sequence:
MLFRAVLLCAALALSHAANPCCSNPCQNRGECMSIGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRNSIMRYVLTSRSHLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGTNMMFAFFAQHFTHQFFKTDQKRGPGFTRGLGHGVDLNHVYGETLDRQHKLRLFQDGKLKYQVIGGEVYPPTVKDTQVDMIYPPHVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWDDERLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYTFKQFLYNNSILLEHGLAHFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYHDIDAMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFRIINTASIQSLICNNVKGCPFASFNVQDPQPTKTATINASASHSRLDDINPTVLIKRRSTEL
  
Inhibitor
Name:
BDBM50289086
Synonyms:
(2R,3S)-3-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-3-yl]-2-methyl-butyric acid | CHEMBL164194
Type:
Small organic molecule
Emp. Form.:
C22H24BrNO3
Mol. Mass.:
430.335
SMILES:
COc1ccc2n(Cc3ccc(Br)cc3)c(C)c([C@@H](C)[C@@H](C)C(O)=O)c2c1
Structure:
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