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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50179631
Substrate
n/a
Meas. Tech.
ChEMBL_336080 (CHEMBL865931)
IC50
<50±n/a nM
Citation
 Sakya, SM; Cheng, H; Lundy Demello, KM; Shavnya, A; Minich, ML; Rast, B; Dutra, J; Li, C; Rafka, RJ; Koss, DA; Li, J; Jaynes, BH; Ziegler, CB; Mann, DW; Petras, CF; Seibel, SB; Silvia, AM; George, DM; Hickman, A; Haven, ML; Lynch, MP 5-Heteroatom-substituted pyrazoles as canine COX-2 inhibitors: Part 2. Structure-activity relationship studies of 5-alkylethers and 5-thioethers. Bioorg Med Chem Lett 16:1202-6 (2006) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
Cyclooxygenase-2 | Prostaglandin G/H synthase-2
Type:
PROTEIN
Mol. Mass.:
68982.35
Organism:
Canis familiaris
Description:
ChEMBL_344386
Residue:
604
Sequence:
MLARALVLCAALAVVRAANPCCSHPCQNQGICMSTGFDQYKCDCTRTGFYGENCSTPEFLTRIKLYLKPTPNTVHYILTHFKGVWNIVNNIPFLRNTIMKYVLTSRSHLIESPPTYNVNYGYKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGKKELPDSKEIVEKFLLRRKFIPDPQGTNMMFAFFAQHFTHQFFKTDHKRGPAFTKGLGHGVDLNHVYGETLDRQHKLRLFKDGKMKYQVIDGEVYPPTVKDTQVEMIYPPHVPEHLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWDDERLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIAAEFNTLYHWHPLLPDTLQIDDQEYNFQQFIYNNSILLEHGLTQFVESFSRQIAGRVAGGRNVPAAVQQVAKASIDQSRQMKYQSLNEYRKRFRLKPYTSFEELTGEKEMAAGLEALYGDIDAMELYPALLVEKPRPDAIFGETMVEMGAPFSLKGLMGNPICSPDYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTAFSVQDGQLTKTVTINASSSHSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50179631
Synonyms:
5-(sec-butylthio)-1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile | CHEMBL204707
Type:
Small organic molecule
Emp. Form.:
C15H15F3N4O2S2
Mol. Mass.:
404.43
SMILES:
CCC(C)Sc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Structure:
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