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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50243634
Substrate
n/a
Meas. Tech.
ChEMBL_487342 (CHEMBL1021868)
IC50
6.1±n/a nM
Citation
 Julian, LD; Wang, Z; Bostick, T; Caille, S; Choi, R; DeGraffenreid, M; Di, Y; He, X; Hungate, RW; Jaen, JC; Liu, J; Monshouwer, M; McMinn, D; Rew, Y; Sudom, A; Sun, D; Tu, H; Ursu, S; Walker, N; Yan, X; Ye, Q; Powers, JP Discovery of novel, potent benzamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1) exhibiting oral activity in an enzyme inhibition ex vivo model. J Med Chem 51:3953-60 (2008) [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:
BDBM50243634
Synonyms:
(S)-N-(cis-4-Phenyl)cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide | CHEMBL471750
Type:
Small organic molecule
Emp. Form.:
C25H28F3NO2
Mol. Mass.:
431.4905
SMILES:
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,18.23,wD:1.1,(10.44,-24.23,;11.2,-22.89,;9.86,-22.12,;12.54,-23.66,;12.53,-25.2,;13.87,-25.98,;15.2,-25.2,;15.2,-23.65,;13.86,-22.89,;16.54,-25.97,;16.54,-27.51,;17.87,-25.2,;17.87,-23.66,;18.63,-22.32,;17.09,-22.33,;19.21,-25.97,;20.53,-25.2,;21.87,-25.97,;21.87,-27.51,;20.53,-28.28,;19.2,-27.51,;23.19,-28.28,;23.18,-29.82,;24.52,-30.59,;25.85,-29.83,;25.85,-28.28,;24.52,-27.51,;11.97,-21.56,;12.73,-20.21,;13.31,-22.32,;10.63,-20.79,)|
Structure:
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