Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50248020
Substrate
n/a
Meas. Tech.
ChEMBL_543487 (CHEMBL1018653)
IC50
1.6±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:
BDBM50248020
Synonyms:
CHEMBL455443 | N-cyclopropyl-N-((1s,4R)-4-(pyridin-3-yl)cyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
Type:
Small organic molecule
Emp. Form.:
C24H27F3N2O2
Mol. Mass.:
432.4786
SMILES:
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)c1cccnc1)C(F)(F)F |r,wU:15.16,18.23,1.2,wD:1.1,(23.78,1.56,;24.55,2.9,;25.32,4.24,;25.88,2.13,;25.88,.59,;27.21,-.18,;28.55,.59,;28.55,2.14,;27.21,2.9,;29.89,-.18,;29.89,-1.72,;31.22,.59,;31.22,2.13,;31.98,3.46,;30.44,3.46,;32.55,-.18,;33.88,.59,;35.21,-.18,;35.21,-1.72,;33.88,-2.49,;32.55,-1.72,;36.54,-2.5,;36.53,-4.04,;37.86,-4.81,;39.2,-4.05,;39.2,-2.51,;37.87,-1.73,;23.21,3.67,;21.87,4.44,;22.44,2.34,;23.98,5.01,)|
Structure:
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