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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334682
Substrate
n/a
Meas. Tech.
ChEMBL_699052 (CHEMBL1646333)
IC50
3.5±n/a nM
Citation
 Sun, D; Wang, Z; Caille, S; DeGraffenreid, M; Gonzalez-Lopez de Turiso, F; Hungate, R; Jaen, JC; Jiang, B; Julian, LD; Kelly, R; McMinn, DL; Kaizerman, J; Rew, Y; Sudom, A; Tu, H; Ursu, S; Walker, N; Willcockson, M; Yan, X; Ye, Q; Powers, JP Synthesis and optimization of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11ß-HSD1 inhibitors. Bioorg Med Chem Lett 21:405-10 (2010) [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:
BDBM50334682
Synonyms:
((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamido)-1-(pyridin-2-yl)cyclohexyl)methyl carbamate | CHEMBL1642602
Type:
Small organic molecule
Emp. Form.:
C26H30F3N3O4
Mol. Mass.:
505.5293
SMILES:
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccccn1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(-4.83,-28.85,;-3.5,-28.08,;-4.99,-27.69,;-2.16,-28.84,;-.82,-28.07,;.51,-28.84,;.51,-30.37,;-.81,-31.15,;-2.15,-30.39,;1.85,-31.14,;1.85,-32.68,;3.18,-30.37,;3.17,-28.83,;3.94,-27.5,;2.4,-27.5,;4.52,-31.13,;5.85,-30.36,;7.18,-31.13,;7.18,-32.67,;8.29,-31.61,;9.77,-32.05,;10.89,-30.99,;12.36,-31.42,;10.52,-29.49,;5.85,-33.44,;4.52,-32.68,;7.93,-34.01,;9.46,-34.01,;10.22,-35.34,;9.44,-36.67,;7.91,-36.66,;7.15,-35.33,;-3.5,-26.54,;-2.17,-25.76,;-4.84,-25.77,;-3.91,-25.05,)|
Structure:
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