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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prostaglandin G/H synthase 1/2 | ||
| Ligand | BDBM50501713 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1666355 (CHEMBL4016151) | ||
| IC50 | 2400±n/a nM | ||
| Citation |  Cornec, AS; Monti, L; Kovalevich, J; Makani, V; James, MJ; Vijayendran, KG; Oukoloff, K; Yao, Y; Lee, VM; Trojanowski, JQ; Smith, AB; Brunden, KR; Ballatore, C Multitargeted Imidazoles: Potential Therapeutic Leads for Alzheimer's and Other Neurodegenerative Diseases. J Med Chem60:5120-5145 (2017) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Prostaglandin G/H synthase 1/2 | |||
| Name: | Prostaglandin G/H synthase 1/2 | ||
| Synonyms: | Cyclooxygenase | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of ChEMBL is 1666355 | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Prostaglandin G/H synthase 2 | ||
| Synonyms: | Cox-2 | Cox2 | Cyclooxygenase | PGH2_RAT | Ptgs2 | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 69173.51 | ||
| Organism: | RAT | ||
| Description: | COX-2 0 RAT::P35355 | ||
| Residue: | 604 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Prostaglandin G/H synthase 1 | ||
| Synonyms: | Cox-1 | Cox1 | Cyclooxygenase | Cyclooxygenase-1 | PGH1_RAT | Prostaglandin G/H synthase (cyclooxygenase) | Ptgs1 | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 69033.56 | ||
| Organism: | RAT | ||
| Description: | COX-1 0 RAT::Q63921 | ||
| Residue: | 602 | ||
| Sequence: |
| ||
| BDBM50501713 | |||
| n/a | |||
| Name | BDBM50501713 | ||
| Synonyms: | CHEMBL4069992 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C16H10ClF3N2O | ||
| Mol. Mass. | 338.712 | ||
| SMILES | COc1ccc(cc1)-n1cnc(Cl)c1-c1c(F)cc(F)cc1F |(14.6,-5.48,;13.28,-6.26,;13.29,-7.8,;14.63,-8.56,;14.64,-10.1,;13.31,-10.88,;11.98,-10.13,;11.96,-8.59,;13.33,-12.42,;12.09,-13.33,;12.59,-14.79,;14.1,-14.79,;15.01,-16.03,;14.58,-13.31,;16.04,-12.83,;16.34,-11.33,;15.19,-10.31,;17.8,-10.84,;18.96,-11.86,;20.42,-11.38,;18.65,-13.37,;17.18,-13.86,;16.87,-15.36,)| | ||
| Structure | 
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