| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin E synthase |
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| Ligand | BDBM11639 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1552422 (CHEMBL3761673) |
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| IC50 | 425±n/a nM |
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| Citation |  Schiffler, MA; Antonysamy, S; Bhattachar, SN; Campanale, KM; Chandrasekhar, S; Condon, B; Desai, PV; Fisher, MJ; Groshong, C; Harvey, A; Hickey, MJ; Hughes, NE; Jones, SA; Kim, EJ; Kuklish, SL; Luz, JG; Norman, BH; Rathmell, RE; Rizzo, JR; Seng, TW; Thibodeaux, SJ; Woods, TA; York, JS; Yu, XP Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J Med Chem59:194-205 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Prostaglandin E synthase |
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| Name: | Prostaglandin E synthase |
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| Synonyms: | MGST1L1 | MPGES1 | PGES | PIG12 | PTGES | PTGES_HUMAN | Prostaglandin E synthase (PGES-1) | Prostaglandin E synthase 1 (mPGES-1) | Prostaglandin E synthase-1 (PGES-1) | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin E2 synthase-1 ( mPGES-1) |
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| Type: | Protein |
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| Mol. Mass.: | 17112.22 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 152 |
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| Sequence: | MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCR
SDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGK
LRAPIRSVTYTLAQLPCASMALQILWEAARHL
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| BDBM11639 |
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| n/a |
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| Name | BDBM11639 |
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| Synonyms: | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide | CHEMBL118 | CLX | Celebrex | Celecoxib | US10322118, Urea-Based Scaffold Entry 9 | US11478464, Compound Celecoxib | US11786535, Compound Celecoxib | US8741944, Comparative Compound | US9388139, Celecoxib | cid_2662 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H14F3N3O2S |
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| Mol. Mass. | 381.372 |
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| SMILES | Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |
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| Structure | 
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