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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334685
Substrate
n/a
Meas. Tech.
ChEMBL_699052 (CHEMBL1646333)
IC50
2.2±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:
BDBM50334685
Synonyms:
CHEMBL1642588 | N-cyclopropyl-N-((4R)-4-(hydroxymethyl)-4-phenylcyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
Type:
Small organic molecule
Emp. Form.:
C26H30F3NO3
Mol. Mass.:
461.5165
SMILES:
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CO)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.25,(-9,1.7,;-7.67,2.47,;-9.16,2.87,;-6.33,1.71,;-5,2.48,;-3.66,1.72,;-3.67,.18,;-4.99,-.6,;-6.32,.16,;-2.33,-.59,;-2.32,-2.13,;-.99,.18,;-1,1.72,;-.23,3.06,;-1.77,3.05,;.34,-.58,;1.67,.19,;3,-.58,;3,-2.13,;4.33,-1.35,;5.67,-2.11,;1.67,-2.89,;.34,-2.13,;3.76,-3.46,;2.98,-4.78,;3.74,-6.11,;5.27,-6.12,;6.04,-4.79,;5.28,-3.46,;-7.68,4.01,;-6.35,4.79,;-9.02,4.78,;-8.08,5.5,)|
Structure:
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