Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50112138 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1512870 (CHEMBL3611792) | ||
IC50 | >1000±n/a nM | ||
Citation | Hong, SP; Nam, KY; Shin, YJ; Kim, KW; Ahn, SK Discovery of 11ß-hydroxysteroid dehydrogenase type 1 inhibitor. Bioorg Med Chem Lett25:3501-6 (2015) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
11-beta-hydroxysteroid dehydrogenase 1 | |||
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: |
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BDBM50112138 | |||
n/a | |||
Name | BDBM50112138 | ||
Synonyms: | CHEMBL3609866 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H26FN3O5S | ||
Mol. Mass. | 439.501 | ||
SMILES | NC(=O)C12CC3CC(C1)[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,13.14,TLB:28:27:8:4.6.5,THB:28:5:8:9.27.29,10:9:8:4.6.5,9:27:4:8.6.7,9:7:4:27.28.29,(3.78,.15,;3.07,1.15,;3.59,2.27,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-4.66,-3.53,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| | ||
Structure |