Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50018813 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1362859 (CHEMBL3291633) | ||
IC50 | >22000±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: |
| ||
BDBM50018813 | |||
n/a | |||
Name | BDBM50018813 | ||
Synonyms: | CHEMBL3291349 | ||
Type | Small organic molecule | ||
Emp. Form. | C18H20Cl2N2O | ||
Mol. Mass. | 351.27 | ||
SMILES | [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1c(Cl)cccc1Cl)n3C)C2(C)C |r,wU:4.4,1.0,(15.18,-8.38,;15.18,-6.88,;16.48,-6.13,;16.48,-4.64,;15.18,-3.89,;14.76,-2.45,;13.89,-4.64,;13.89,-6.13,;12.47,-6.6,;12.01,-8.01,;11.59,-5.39,;10.05,-5.38,;9.29,-4.05,;10.06,-2.71,;7.74,-4.04,;6.97,-5.38,;7.75,-6.72,;9.29,-6.72,;10.06,-8.06,;12.47,-4.18,;11.99,-2.71,;16.05,-5.38,;17.54,-6.24,;17.54,-4.52,)| | ||
Structure |