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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
| Ligand | BDBM50400170 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_878466 (CHEMBL2187380) | ||
| IC50 | 22±n/a nM | ||
| Citation |  Goldberg, FW; Leach, AG; Scott, JS; Snelson, WL; Groombridge, SD; Donald, CS; Bennett, SN; Bodin, C; Gutierrez, PM; Gyte, AC Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors. J Med Chem55:10652-61 (2012) [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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| BDBM50400170 | |||
| n/a | |||
| Name | BDBM50400170 | ||
| Synonyms: | CHEMBL2179023 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H36N4O3 | ||
| Mol. Mass. | 440.5783 | ||
| SMILES | O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC[C@H]4CCCO4)nc1C1CCCC1)C(C3)C2 |r,wU:7.8,17.17,wD:1.0,TLB:0:1:7:30.3.4,8:7:6.31.1:30.3.4,8:7:4:6.1.2,THB:0:1:7.29.30:4,2:1:7:30.3.4,2:3:7:6.31.1,31:29:4:6.1.2,31:1:7.29.30:4,(56.54,-4.17,;55.01,-4.15,;53.97,-3.03,;52.55,-3.58,;51.9,-4.85,;52.93,-5.93,;54.23,-5.37,;52.94,-7.67,;51.61,-8.45,;50.27,-7.68,;50.27,-6.14,;48.94,-8.46,;47.61,-7.69,;46.28,-8.46,;46.27,-10.01,;44.94,-10.78,;43.61,-10,;42.27,-10.77,;42.12,-12.3,;40.61,-12.62,;39.85,-11.29,;40.88,-10.14,;47.61,-10.78,;48.95,-10.01,;50.28,-10.77,;50.45,-12.3,;51.95,-12.62,;52.72,-11.28,;51.69,-10.14,;53.74,-6.34,;52.57,-5.02,;55.15,-5.78,)| | ||
| Structure | 
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