Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50018802 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1362859 (CHEMBL3291633) | ||
IC50 | 14±n/a nM | ||
Citation | Gillespie, P; Pietranico-Cole, S; Myers, M; Bilotta, JA; Conde-Knape, K; Fotouhi, N; Goodnow, RA; Guertin, KR; Hamilton, MM; Haynes, NE; Liu, B; Qi, L; Ren, Y; Scott, NR; So, SS; Spence, C; Taub, R; Thakkar, K; Tilley, JW; Zwingelstein, C Discovery of camphor-derived pyrazolones as 11ß-hydroxysteroid dehydrogenase type 1 inhibitors. Bioorg Med Chem Lett24:2707-11 (2014) [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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BDBM50018802 | |||
n/a | |||
Name | BDBM50018802 | ||
Synonyms: | CHEMBL3291354 | ||
Type | Small organic molecule | ||
Emp. Form. | C18H21ClN2O | ||
Mol. Mass. | 316.825 | ||
SMILES | [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1Cl)n3C)C2(C)C |r,wU:4.4,1.0,(22.13,-16.72,;22.13,-15.22,;23.42,-14.48,;23.42,-12.98,;22.13,-12.23,;21.71,-10.79,;20.84,-12.98,;20.84,-14.48,;19.42,-14.94,;18.96,-16.36,;18.54,-13.73,;16.99,-13.72,;16.23,-12.39,;14.69,-12.38,;13.91,-13.72,;14.69,-15.07,;16.23,-15.06,;17.01,-16.4,;19.42,-12.52,;18.94,-11.05,;22.99,-13.72,;24.49,-14.58,;24.49,-12.86,)| | ||
Structure |