Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50112139 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1512869 (CHEMBL3611791) | ||
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 | 11-beta-hydroxysteroid dehydrogenase 1 (11HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11beta-HSD1) | DHI1_HUMAN | HSD11 | HSD11B1 | HSD11L | SDR26C1 | ||
Type: | Enzyme | ||
Mol. Mass.: | 32409.16 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P28845 | ||
Residue: | 292 | ||
Sequence: |
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BDBM50112139 | |||
n/a | |||
Name | BDBM50112139 | ||
Synonyms: | CHEMBL3609867 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H26FN3O4S | ||
Mol. Mass. | 423.502 | ||
SMILES | NC(=O)C12CC3CC(C1)[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,TLB:10:9:27:3.4.28,8:3:27:9.7.6,THB:1:3:27:9.7.6,9:26:4:8.7.6,9:7:4:27.28.26,8:7:27:3.4.28,(3.79,.16,;3.07,1.16,;3.58,2.29,;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,;-7.46,-.97,;-8.67,-1.93,;-10.1,-1.35,;-10.28,-.14,;-9.13,-.59,;-11.31,-2.31,;-12.74,-1.73,;-13.95,-2.69,;-13.73,-4.21,;-12.3,-4.78,;-11.09,-3.83,;-9.95,-4.29,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| | ||
Structure |