| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin E synthase |
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| Ligand | BDBM50168768 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_746975 (CHEMBL1777341) |
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| IC50 | 16±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 |
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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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| BDBM50168768 |
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| n/a |
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| Name | BDBM50168768 |
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| Synonyms: | 3-(5-(biphenyl-4-yl)-1-(4-chlorobenzyl)-3-methyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid | 3-[5-Biphenyl-4-yl-1-(4-chloro-benzyl)-3-methyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid | CHEMBL362242 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H30ClNO2 |
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| Mol. Mass. | 508.05 |
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| SMILES | Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(cc1)-c1ccccc1 |
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| Structure | 
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