Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50394022 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_856054 (CHEMBL2162171) | ||
IC50 | >30000±n/a nM | ||
Citation | Scott, JS; Gill, AL; Godfrey, L; Groombridge, SD; Rees, A; Revill, J; Schofield, P; Sörme, P; Stocker, A; Swales, JG; Whittamore, PR Optimisation of pharmacokinetic properties in a neutral series of 11ß-HSD1 inhibitors. Bioorg Med Chem Lett22:6756-61 (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 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: |
| ||
BDBM50394022 | |||
n/a | |||
Name | BDBM50394022 | ||
Synonyms: | CHEMBL2158475 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H27N3O2 | ||
Mol. Mass. | 341.4473 | ||
SMILES | Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(CC2CC2)n1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(16.69,-26.29,;18.02,-25.52,;18.03,-23.98,;19.36,-23.21,;20.69,-23.97,;22.02,-23.2,;22.02,-21.66,;23.36,-23.96,;24.69,-23.19,;25.86,-21.88,;27.19,-22.35,;28.58,-21.97,;27.59,-23.27,;26.18,-22.73,;26.14,-21.14,;27.16,-19.89,;27.14,-18.35,;28.56,-20.44,;25.82,-20.4,;20.7,-25.52,;22.03,-26.29,;22.03,-27.83,;21.27,-29.16,;22.81,-29.16,;19.36,-26.29,)| | ||
Structure |