Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50400168 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_878466 (CHEMBL2187380) | ||
IC50 | 12±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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BDBM50400168 | |||
n/a | |||
Name | BDBM50400168 | ||
Synonyms: | CHEMBL2179025 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H32N4O3 | ||
Mol. Mass. | 400.5145 | ||
SMILES | OCCNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |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,(2.28,-22.72,;3.61,-23.49,;3.61,-25.03,;4.95,-25.8,;6.28,-25.04,;6.28,-23.49,;7.61,-22.72,;8.95,-23.48,;10.28,-22.71,;10.27,-21.17,;11.61,-23.47,;12.95,-22.7,;12.94,-20.95,;11.9,-19.88,;12.56,-18.61,;12.58,-20.05,;13.75,-21.37,;15.16,-20.81,;15.02,-19.18,;16.55,-19.2,;13.97,-18.06,;14.24,-20.4,;8.95,-25.03,;7.61,-25.81,;10.29,-25.8,;10.45,-27.33,;11.96,-27.65,;12.73,-26.31,;11.69,-25.17,)| | ||
Structure |