Reaction Details |
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Target | Prostaglandin E synthase |
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Ligand | BDBM50273441 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_746975 (CHEMBL1777341) |
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IC50 | 1700±n/a nM |
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Citation | Waltenberger, B; Wiechmann, K; Bauer, J; Markt, P; Noha, SM; Wolber, G; Rollinger, JM; Werz, O; Schuster, D; Stuppner, H Pharmacophore modeling and virtual screening for novel acidic inhibitors of microsomal prostaglandin E2 synthase-1 (mPGES-1). J Med Chem54:3163-74 (2011) [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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BDBM50273441 |
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n/a |
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Name | BDBM50273441 |
Synonyms: | (R)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyrimidin-2-ylthio)octanoic acid | CHEMBL457204 |
Type | Small organic molecule |
Emp. Form. | C25H25ClN4O2S |
Mol. Mass. | 481.01 |
SMILES | CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O |r| |
Structure |
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