| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin E synthase |
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| Ligand | BDBM50343539 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_746975 (CHEMBL1777341) |
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| IC50 | 70±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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| BDBM50343539 |
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| n/a |
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| Name | BDBM50343539 |
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| Synonyms: | 5-(4-tert-butylbenzyl)-3-(4-isopropoxyphenyl)-1-(4-(isopropylamino)phenyl)-1H-indole-2-carboxylic acid | CHEMBL453202 |
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| Type | Small organic molecule |
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| Emp. Form. | C38H42N2O3 |
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| Mol. Mass. | 574.7517 |
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| SMILES | CC(C)Nc1ccc(cc1)-n1c(C(O)=O)c(-c2ccc(OC(C)C)cc2)c2cc(Cc3ccc(cc3)C(C)(C)C)ccc12 |
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| Structure | 
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