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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448232
Substrate
n/a
Meas. Tech.
ChEMBL_1293357 (CHEMBL3122300)
IC50
1.000000±n/a nM
Citation
 Lee, Y; Shin, YJ; Ahn, SK 3-Amino-N-adamantyl-3-methylbutanamide derivatives as 11ß-hydroxysteroid dehydrogenase 1 inhibitor. Bioorg Med Chem Lett 24:1421-5 (2014) [PubMed]  Article 
Target
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:
MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK
  
Inhibitor
Name:
BDBM50448232
Synonyms:
CHEMBL3120817
Type:
Small organic molecule
Emp. Form.:
C22H29ClFN3O4S
Mol. Mass.:
486
SMILES:
CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1cccc(Cl)c1F |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(29.03,-26.58,;28.26,-25.25,;27.85,-26.73,;29.59,-24.48,;30.93,-25.25,;30.93,-26.79,;32.26,-24.47,;33.52,-25.35,;34.87,-24.87,;33.84,-26.11,;33.85,-27.69,;32.35,-28.12,;33.54,-26.84,;34.87,-27.32,;36.26,-26.97,;35.26,-28.25,;36.27,-25.44,;37.59,-27.75,;38.93,-26.98,;37.59,-29.29,;26.92,-24.48,;25.59,-25.25,;24.82,-26.59,;26.36,-26.59,;24.26,-24.49,;24.25,-22.94,;22.92,-22.17,;21.59,-22.94,;21.59,-24.49,;20.25,-25.26,;22.92,-25.26,;22.92,-26.8,)|
Structure:
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