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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50057944
Substrate
n/a
Meas. Tech.
ChEMBL_157821 (CHEMBL858334)
IC50
645000000±n/a nM
Citation
 Desiraju, GR; Gopalakrishnan, B; Jetti, RK; Nagaraju, A; Raveendra, D; Sarma, JA; Sobhia, ME; Thilagavathi, R Computer-aided design of selective COX-2 inhibitors: comparative molecular field analysis, comparative molecular similarity indices analysis, and docking studies of some 1,2-diarylimidazole derivatives. J Med Chem 45:4847-57 (2002) [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:
BDBM50057944
Synonyms:
CHEMBL43090 | [2-(4-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazol-4-yl]-acetonitrile
Type:
Small organic molecule
Emp. Form.:
C18H14ClN3O2S
Mol. Mass.:
371.841
SMILES:
CS(=O)(=O)c1ccc(cc1)-n1cc(CC#N)nc1-c1ccc(Cl)cc1
Structure:
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