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TargetCyclooxygenase
LigandBDBM50176545
Substrate/Competitorn/a
Meas. Tech.ChEMBL_327429
IC50 28±n/a nM
Citation Sakya SMDeMello KMMinich MLRast BShavnya ARafka RJKoss DACheng HLi JJaynes BHZiegler CBMann DWPetras CFSeibel SBSilvia AMGeorge DMLund LASt Denis SHickman AHaven MLLynch 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 Lett 16:288-92 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cyclooxygenase
Name:Prostaglandin E synthase/G/H synthase 2
Synonyms:Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGHS-2 | PHS II | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2
Type:Enzyme
Mol. Mass.:69003.89
Organism:Homo sapiens (Human)
Description:Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI).
Residue:604
Sequence:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADY
GYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKY
QIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQ
NRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRV
AGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEAL
YGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEV
GFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKER
STEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50176545
n/a
NameBDBM50176545
Synonyms:3-(difluoromethyl)-5-((2R,6S)-2,6-dimethylmorpholino)-1-(5-(methylsulfonyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile | 3-(difluoromethyl)-5-((cis)-2,6-dimethylmorpholino)-1-(5-(methylsulfonyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile | CHEMBL200812
TypeSmall organic molecule
Emp. Form.C17H19F2N5O3S
Mol. Mass.411.426
SMILESC[C@H]1CN(C[C@@H](C)O1)c1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Structure
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