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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448225
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:
BDBM50448225
Synonyms:
CHEMBL3120824
Type:
Small organic molecule
Emp. Form.:
C22H28F3N3O4S
Mol. Mass.:
487.536
SMILES:
CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1c(F)cc(F)cc1F |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,(35.27,-35.23,;34.5,-33.9,;34.09,-35.38,;35.83,-33.13,;37.16,-33.9,;37.17,-35.44,;38.5,-33.12,;39.76,-34,;41.11,-33.51,;40.07,-34.76,;40.09,-36.34,;38.59,-36.77,;39.78,-35.49,;41.11,-35.97,;42.5,-35.62,;41.5,-36.9,;42.51,-34.09,;43.83,-36.4,;45.17,-35.64,;43.81,-37.94,;33.16,-33.13,;31.83,-33.9,;31.06,-35.24,;32.6,-35.24,;30.49,-33.14,;29.16,-33.91,;29.16,-35.45,;27.82,-33.14,;27.83,-31.59,;26.49,-30.82,;29.15,-30.82,;30.49,-31.59,;31.82,-30.81,)|
Structure:
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