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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448231
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:
BDBM50448231
Synonyms:
CHEMBL3120818
Type:
Small organic molecule
Emp. Form.:
C22H29Cl2N3O4S
Mol. Mass.:
502.454
SMILES:
CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1cccc(Cl)c1Cl |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,(10.27,-32,;9.5,-30.67,;9.09,-32.15,;10.83,-29.9,;12.17,-30.67,;12.17,-32.21,;13.5,-29.9,;14.76,-30.77,;16.11,-30.29,;15.08,-31.53,;15.09,-33.11,;13.59,-33.54,;14.78,-32.26,;16.11,-32.74,;17.51,-32.39,;16.5,-33.67,;17.51,-30.86,;18.86,-33.13,;20.17,-32.33,;18.89,-34.67,;8.17,-29.9,;6.83,-30.68,;6.06,-32.01,;7.6,-32.01,;5.5,-29.91,;5.49,-28.36,;4.16,-27.59,;2.83,-28.36,;2.83,-29.91,;1.49,-30.68,;4.16,-30.68,;4.16,-32.22,)|
Structure:
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