Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50192792 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_422284 (CHEMBL856010) | ||
IC50 | 5±n/a nM | ||
Citation | Yeh, VS; Patel, JR; Yong, H; Kurukulasuriya, R; Fung, S; Monzon, K; Chiou, W; Wang, J; Stolarik, D; Imade, H; Beno, D; Brune, M; Jacobson, P; Sham, H; Link, JT Synthesis and biological evaluation of heterocycle containing adamantane 11beta-HSD1 inhibitors. Bioorg Med Chem Lett16:5414-9 (2006) [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: |
| ||
BDBM50192792 | |||
n/a | |||
Name | BDBM50192792 | ||
Synonyms: | CHEMBL219348 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-adamantan-2-yl)-2-methyl-2-(5-pyrazol-1-yl-pyridin-2-yloxy)-propionamide | ||
Type | Small organic molecule | ||
Emp. Form. | C24H31N5O3 | ||
Mol. Mass. | 437.5346 | ||
SMILES | CC(C)(Oc1ccc(cn1)-n1cccn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:21.33,18.19,wD:23.24,25.28,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(23.88,-36.88,;22.55,-37.66,;21.22,-36.88,;23.88,-38.44,;25.22,-37.69,;26.54,-38.48,;27.88,-37.73,;27.9,-36.18,;26.57,-35.4,;25.23,-36.16,;29.24,-35.43,;30.63,-36.07,;31.67,-34.93,;30.91,-33.6,;29.4,-33.91,;21.21,-38.41,;21.2,-39.95,;19.89,-37.63,;18.6,-38.48,;18.59,-40.01,;17.58,-41.28,;16.17,-40.72,;16.17,-39.14,;17.21,-37.9,;15.86,-38.38,;15.87,-39.86,;14.53,-39.09,;13.19,-39.85,;11.86,-39.07,;13.19,-41.39,;14.67,-41.14,;17.2,-40.35,)| | ||
Structure |