Reaction Details |
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Target | 11-beta-hydroxysteroid dehydrogenase 1 |
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Ligand | BDBM50249082 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_500343 (CHEMBL973435) |
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IC50 | >10000±n/a nM |
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Citation | Yang, H; Shen, Y; Chen, J; Jiang, Q; Leng, Y; Shen, J Structure-based virtual screening for identification of novel 11beta-HSD1 inhibitors. Eur J Med Chem44:1167-71 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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11-beta-hydroxysteroid dehydrogenase 1 |
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Name: | 11-beta-hydroxysteroid dehydrogenase 1 |
Synonyms: | 11-DH | 11-beta-HSD1 | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | 11-beta-hydroxysteroid dehydrogenase 1 | 11beta-HSD1A | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | DHI1_MOUSE | Hsd11 | Hsd11b1 |
Type: | Enzyme |
Mol. Mass.: | 32369.70 |
Organism: | Mus musculus (mouse) |
Description: | P50172 |
Residue: | 292 |
Sequence: | MAVMKNYLLPILVLFLAYYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAH
VVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNH
ITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKMTQPMI
APYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMKEISGIINAQASPKEE
CALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKIMEFFSLRYYNKDMFVSN
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BDBM50249082 |
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n/a |
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Name | BDBM50249082 |
Synonyms: | 4-(benzofuran-2-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-1-(5-(4-methylbenzylthio)-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one | CHEMBL471720 |
Type | Small organic molecule |
Emp. Form. | C29H20FN3O4S2 |
Mol. Mass. | 557.615 |
SMILES | Cc1ccc(CSc2nnc(s2)N2C(C(C(=O)c3cc4ccccc4o3)C(=O)C2=O)c2ccccc2F)cc1 |
Structure |
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