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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50413278
Substrate
n/a
Meas. Tech.
ChEMBL_543487 (CHEMBL1018653)
IC50
3.3±n/a nM
Citation
 McMinn, DL; Rew, Y; Sudom, A; Caille, S; Degraffenreid, M; He, X; Hungate, R; Jiang, B; Jaen, J; Julian, LD; Kaizerman, J; Novak, P; Sun, D; Tu, H; Ursu, S; Walker, NP; Yan, X; Ye, Q; Wang, Z; Powers, JP Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors. Bioorg Med Chem Lett 19:1446-50 (2009) [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:
BDBM50413278
Synonyms:
CHEMBL2021499
Type:
Small organic molecule
Emp. Form.:
C26H26F4N2O2
Mol. Mass.:
474.4905
SMILES:
C[C@@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)c1ccc(F)cc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.25,(-.4,-1.76,;-1.73,-2.53,;-1.73,-.99,;-.4,-3.3,;-.4,-4.84,;.94,-5.61,;2.27,-4.84,;2.27,-3.3,;.94,-2.53,;3.6,-5.61,;3.6,-7.15,;4.94,-4.84,;4.94,-3.3,;5.71,-1.97,;4.17,-1.97,;6.27,-5.61,;7.6,-4.84,;8.94,-5.61,;8.94,-7.15,;7.6,-7.92,;6.27,-7.15,;10.03,-6.06,;11.12,-4.97,;10.27,-7.92,;10.27,-9.46,;11.6,-10.23,;12.94,-9.46,;14.27,-10.23,;12.94,-7.92,;11.6,-7.15,;-3.07,-3.3,;-4.4,-2.53,;-3.07,-4.84,;-4.4,-4.07,)|
Structure:
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