| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 2 |
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| Ligand | BDBM50176554 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_327427 (CHEMBL863477) |
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| IC50 | 126±n/a nM |
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| Citation |  Sakya, SM; DeMello, KM; Minich, ML; Rast, B; Shavnya, A; Rafka, RJ; Koss, DA; Cheng, H; Li, J; Jaynes, BH; Ziegler, CB; Mann, DW; Petras, CF; Seibel, SB; Silvia, AM; George, DM; Lund, LA; St Denis, S; Hickman, A; Haven, ML; Lynch, MP 5-heteroatom substituted pyrazoles as canine COX-2 inhibitors. Part 1: Structure-activity relationship studies of 5-alkylamino pyrazoles and discovery of a potent, selective, and orally active analog. Bioorg Med Chem Lett16:288-92 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Prostaglandin G/H synthase 2 |
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| Name: | Prostaglandin G/H synthase 2 |
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| Synonyms: | Cyclooxygenase-2 | Prostaglandin G/H synthase-2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 68982.35 |
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| Organism: | Canis familiaris |
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| Description: | ChEMBL_344386 |
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| Residue: | 604 |
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| Sequence: | MLARALVLCAALAVVRAANPCCSHPCQNQGICMSTGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLYLKPTPNTVHYILTHFKGVWNIVNNIPFLRNTIMKYVLTSRSHLIESPPTYNVNY
GYKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGKKELPDSKEIVEKFLLRRKFIPDPQGT
NMMFAFFAQHFTHQFFKTDHKRGPAFTKGLGHGVDLNHVYGETLDRQHKLRLFKDGKMKY
QVIDGEVYPPTVKDTQVEMIYPPHVPEHLQFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWDDERLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQ
NRIAAEFNTLYHWHPLLPDTLQIDDQEYNFQQFIYNNSILLEHGLTQFVESFSRQIAGRV
AGGRNVPAAVQQVAKASIDQSRQMKYQSLNEYRKRFRLKPYTSFEELTGEKEMAAGLEAL
YGDIDAMELYPALLVEKPRPDAIFGETMVEMGAPFSLKGLMGNPICSPDYWKPSTFGGEV
GFKIINTASIQSLICNNVKGCPFTAFSVQDGQLTKTVTINASSSHSGLDDINPTVLLKER
STEL
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| BDBM50176554 |
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| n/a |
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| Name | BDBM50176554 |
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| Synonyms: | 5-((1,3-dioxolan-2-yl)methylamino)-1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile | CHEMBL199991 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H14F3N5O4S |
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| Mol. Mass. | 417.363 |
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| SMILES | CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1NCC1OCCO1)C(F)(F)F |
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| Structure | 
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