Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50400151 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_878466 (CHEMBL2187380) | ||
IC50 | 31±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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BDBM50400151 | |||
n/a | |||
Name | BDBM50400151 | ||
Synonyms: | CHEMBL2179454 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H30N4O3 | ||
Mol. Mass. | 386.4879 | ||
SMILES | OCCNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCC1 |r,wU:11.10,wD:18.19,TLB:19:18:11:15.14.13,10:11:21.17.18:15.14.13,10:11:13:21.18.20,THB:19:18:11.16.15:13,20:18:11:15.14.13,20:14:11:21.17.18,17:16:13:21.18.20,17:18:11.16.15:13,(22.32,-30.16,;23.66,-30.94,;23.66,-32.48,;24.99,-33.24,;26.33,-32.48,;26.33,-30.93,;27.66,-30.16,;29,-30.93,;30.33,-30.15,;30.33,-28.61,;31.66,-30.92,;33,-30.14,;32.99,-28.39,;31.96,-27.31,;32.61,-26.04,;32.63,-27.48,;33.8,-28.81,;35.21,-28.25,;35.07,-26.62,;36.6,-26.63,;34.02,-25.5,;34.29,-27.84,;29,-32.48,;27.67,-33.25,;30.34,-33.24,;30.74,-34.73,;32.22,-34.33,;31.82,-32.84,)| | ||
Structure |