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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50120379
Substrate
n/a
Meas. Tech.
ChEMBL_1518302 (CHEMBL3620277)
IC50
520±n/a nM
Citation
 Leiva, R; Seira, C; McBride, A; Binnie, M; Luque, FJ; Bidon-Chanal, A; Webster, SP; Vázquez, S Novel 11ß-HSD1 inhibitors: C-1 versus C-2 substitution and effect of the introduction of an oxygen atom in the adamantane scaffold. Bioorg Med Chem Lett 25:4250-3 (2015) [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:
BDBM50120379
Synonyms:
CHEMBL3616710
Type:
Small organic molecule
Emp. Form.:
C16H25NO
Mol. Mass.:
247.3758
SMILES:
O=C(NC1C2CC3CC(C2)CC1C3)C1CCCC1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(3.65,-.32,;3.72,.92,;2.42,1.77,;1.02,1.06,;-.29,1.71,;-1.05,.45,;-1.05,-1.34,;-2.27,-2.13,;-1.87,-.7,;-2.04,.73,;-.4,-.89,;1.12,-.36,;.37,-1.61,;5.11,1.62,;6.47,.91,;7.57,2.01,;6.86,3.39,;5.33,3.15,)|
Structure:
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