Reaction Details |
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Target | Prostaglandin G/H synthase 2 |
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Ligand | BDBM50176537 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_327427 (CHEMBL863477) |
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IC50 | 230±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 |
Synonyms: | Cyclooxygenase-2 | Prostaglandin G/H synthase-2 |
Type: | PROTEIN |
Mol. Mass.: | 68982.35 |
Organism: | Canis familiaris |
Description: | ChEMBL_344386 |
Residue: | 604 |
Sequence: | MLARALVLCAALAVVRAANPCCSHPCQNQGICMSTGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLYLKPTPNTVHYILTHFKGVWNIVNNIPFLRNTIMKYVLTSRSHLIESPPTYNVNY
GYKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGKKELPDSKEIVEKFLLRRKFIPDPQGT
NMMFAFFAQHFTHQFFKTDHKRGPAFTKGLGHGVDLNHVYGETLDRQHKLRLFKDGKMKY
QVIDGEVYPPTVKDTQVEMIYPPHVPEHLQFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWDDERLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQ
NRIAAEFNTLYHWHPLLPDTLQIDDQEYNFQQFIYNNSILLEHGLTQFVESFSRQIAGRV
AGGRNVPAAVQQVAKASIDQSRQMKYQSLNEYRKRFRLKPYTSFEELTGEKEMAAGLEAL
YGDIDAMELYPALLVEKPRPDAIFGETMVEMGAPFSLKGLMGNPICSPDYWKPSTFGGEV
GFKIINTASIQSLICNNVKGCPFTAFSVQDGQLTKTVTINASSSHSGLDDINPTVLLKER
STEL
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BDBM50176537 |
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n/a |
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Name | BDBM50176537 |
Synonyms: | 1-(5-(methylsulfonyl)pyridin-2-yl)-5-(neopentylamino)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile | CHEMBL381879 |
Type | Small organic molecule |
Emp. Form. | C16H18F3N5O2S |
Mol. Mass. | 401.407 |
SMILES | CC(C)(C)CNc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F |
Structure |
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