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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334683
Substrate
n/a
Meas. Tech.
ChEMBL_699052 (CHEMBL1646333)
IC50
2.4±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:
BDBM50334683
Synonyms:
((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamido)-1-(5-fluoropyridin-2-yl)cyclohexyl)methyl carbamate | CHEMBL1642587
Type:
Small organic molecule
Emp. Form.:
C26H29F4N3O4
Mol. Mass.:
523.5198
SMILES:
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccc(F)cn1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(-7.82,-30.88,;-6.49,-30.1,;-7.98,-29.71,;-5.15,-30.87,;-3.81,-30.09,;-2.48,-30.86,;-2.48,-32.4,;-3.8,-33.18,;-5.14,-32.42,;-1.14,-33.17,;-1.14,-34.71,;.19,-32.39,;.18,-30.85,;.95,-29.52,;-.59,-29.52,;1.53,-33.16,;2.86,-32.38,;4.19,-33.16,;4.19,-34.7,;5.66,-34.25,;6.79,-35.3,;8.26,-34.84,;9.39,-35.89,;8.6,-33.34,;2.86,-35.46,;1.53,-34.7,;4.94,-36.03,;6.47,-36.04,;7.23,-37.36,;6.45,-38.69,;7.22,-40.03,;4.92,-38.68,;4.16,-37.35,;-6.49,-28.56,;-5.16,-27.78,;-7.83,-27.8,;-6.9,-27.07,)|
Structure:
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