Reaction Details |
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Target | Prostaglandin E synthase |
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Ligand | BDBM50140687 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1548641 (CHEMBL3757641) |
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IC50 | 3600±n/a nM |
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Citation | Di Micco, S; Spatafora, C; Cardullo, N; Riccio, R; Fischer, K; Pergola, C; Koeberle, A; Werz, O; Chalal, M; Vervandier-Fasseur, D; Tringali, C; Bifulco, G 2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors. Bioorg Med Chem24:820-6 (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 |
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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BDBM50140687 |
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n/a |
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Name | BDBM50140687 |
Synonyms: | CHEMBL3752388 |
Type | Small organic molecule |
Emp. Form. | C22H22O8 |
Mol. Mass. | 414.4053 |
SMILES | CCOC(=O)\C=C\c1cc2[C@H]([C@@H](Oc2c(O)c1)c1ccc(O)c(O)c1)C(=O)OCC |r| |
Structure |
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