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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448230
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:
BDBM50448230
Synonyms:
CHEMBL3120819
Type:
Small organic molecule
Emp. Form.:
C22H29F2N3O4S
Mol. Mass.:
469.545
SMILES:
CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1ccc(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,(35.35,-34.25,;34.58,-32.91,;34.17,-34.39,;35.91,-32.14,;37.24,-32.91,;37.25,-34.45,;38.58,-32.14,;39.84,-33.01,;41.19,-32.53,;40.15,-33.77,;40.17,-35.35,;38.67,-35.78,;39.86,-34.5,;41.19,-34.98,;42.58,-34.63,;41.58,-35.91,;42.59,-33.1,;43.92,-35.4,;45.25,-34.63,;43.92,-36.94,;33.24,-32.15,;31.91,-32.92,;31.14,-34.25,;32.68,-34.25,;30.57,-32.15,;30.57,-30.6,;29.23,-29.84,;27.9,-30.61,;26.57,-29.84,;27.9,-32.15,;29.24,-32.92,;29.24,-34.46,)|
Structure:
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