Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 2
Ligand
BDBM50260464
Substrate
n/a
Meas. Tech.
ChEBML_1693913
IC50
49±n/a nM
Citation
 Zhou, S; Yang, S; Huang, G Design, synthesis and bioactivities of Celecoxib analogues or derivatives. Bioorg Med Chem 25:4887-4893 (2017) [PubMed]  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:
BDBM50260464
Synonyms:
CHEMBL4071383
Type:
Small organic molecule
Emp. Form.:
C15H16F3N5O2S
Mol. Mass.:
387.38
SMILES:
CN1C=CN(C=C1)C1NC(=CN1c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:2,5,10|
Structure:
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