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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448224
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:
BDBM50448224
Synonyms:
CHEMBL3120825
Type:
Small organic molecule
Emp. Form.:
C22H30ClN3O4S
Mol. Mass.:
468.009
SMILES:
CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1cccc(Cl)c1 |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,(11.44,-47.23,;10.67,-45.9,;10.26,-47.38,;12,-45.12,;13.33,-45.89,;13.34,-47.43,;14.67,-45.12,;15.93,-46,;17.28,-45.51,;16.25,-46.75,;16.26,-48.34,;14.76,-48.76,;15.95,-47.48,;17.28,-47.96,;18.67,-47.61,;17.67,-48.89,;18.68,-46.08,;20.01,-48.37,;21.34,-47.59,;20.03,-49.91,;9.33,-45.13,;8,-45.9,;7.23,-47.23,;8.77,-47.23,;6.66,-45.13,;6.66,-43.58,;5.32,-42.82,;4,-43.59,;3.99,-45.13,;2.66,-45.9,;5.33,-45.9,)|
Structure:
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