Reaction Details |
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Target | Prostaglandin E synthase |
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Ligand | BDBM50168766 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1495511 (CHEMBL3579895) |
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IC50 | 23±n/a nM |
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Citation | Luz, JG; Antonysamy, S; Kuklish, SL; Condon, B; Lee, MR; Allison, D; Yu, XP; Chandrasekhar, S; Backer, R; Zhang, A; Russell, M; Chang, SS; Harvey, A; Sloan, AV; Fisher, MJ Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J Med Chem58:4727-37 (2015) [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 |
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) |
Type: | Protein |
Mol. Mass.: | 17112.22 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 152 |
Sequence: | MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCR
SDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGK
LRAPIRSVTYTLAQLPCASMALQILWEAARHL
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BDBM50168766 |
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n/a |
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Name | BDBM50168766 |
Synonyms: | 3-(1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid | 3-[1-(4-Chloro-benzyl)-5-(2-fluoro-2'-methyl-biphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid | CHEMBL180650 |
Type | Small organic molecule |
Emp. Form. | C34H31ClFNO2 |
Mol. Mass. | 540.067 |
SMILES | Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1C |
Structure |
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