Reaction Details |
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Target | Prostaglandin E synthase |
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Ligand | BDBM50006805 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1544122 (CHEMBL3750741) |
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IC50 | 2000±n/a nM |
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Citation | Kim, M; Lee, S; Park, EB; Kim, KJ; Lee, HH; Shin, JS; Fischer, K; Koeberle, A; Werz, O; Lee, KT; Lee, JY Hit-to-lead optimization of phenylsulfonyl hydrazides for a potent suppressor of PGE2 production: Synthesis, biological activity, and molecular docking study. Bioorg Med Chem Lett26:94-9 (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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BDBM50006805 |
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n/a |
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Name | BDBM50006805 |
Synonyms: | 3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid | 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid | 3-[1-(4-chlorobenzyl)-3-t-butyl-thio-5-isopropylindol-2-yl]-2,2-dimethylpropanoic acid | 3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid | CHEMBL29097 | MK-886 | MK886 | cid_3651377 |
Type | Small organic molecule |
Emp. Form. | C27H34ClNO2S |
Mol. Mass. | 472.082 |
SMILES | CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 |
Structure |
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