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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448229
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:
BDBM50448229
Synonyms:
CHEMBL3120820
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)c1cccc(F)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,(11.78,-31.4,;11.01,-30.07,;10.6,-31.55,;12.34,-29.3,;13.68,-30.06,;13.68,-31.6,;15.01,-29.29,;16.27,-30.17,;17.62,-29.68,;16.59,-30.92,;16.6,-32.51,;15.1,-32.94,;16.29,-31.65,;17.62,-32.14,;19.01,-31.79,;18.01,-33.06,;19.02,-30.25,;20.35,-32.56,;21.68,-31.79,;20.34,-34.1,;9.67,-29.3,;8.34,-30.07,;7.57,-31.41,;9.11,-31.4,;7.01,-29.3,;7,-27.75,;5.67,-26.99,;4.34,-27.76,;4.34,-29.3,;3,-30.07,;5.67,-30.07,;5.67,-31.61,)|
Structure:
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