Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 2
Ligand
BDBM205491
Substrate
n/a
Meas. Tech.
COX Enzyme Inhibition Assay (Table 1)
IC50
9.2e+2±n/a nM
Citation
 Uddin, MJ; Crews, BC; Xu, S; Ghebreselasie, K; Daniel, CK; Kingsley, PJ; Banerjee, S; Marnett, LJ Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors. ACS Chem Biol 11:3052-3060 (2016) [PubMed]  Article 
Target
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:
MLFRAVLLCAALGLSQAANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLNHIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPENLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFNVQDPQPTKTATINASASHSRLDDINPTVLIKRRSTEL
  
Inhibitor
Name:
BDBM205491
Synonyms:
Cytotoxic conjugates, 8
Type:
Small organic molecule
Emp. Form.:
C34H33ClN6O7S2
Mol. Mass.:
737.245
SMILES:
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)c2c1
Structure:
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