Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM28365
Substrate
n/a
Meas. Tech.
ChEMBL_487347 (CHEMBL1021873)
IC50
0.2±n/a nM
Citation
 Julian, LDWang, ZBostick, TCaille, SChoi, RDeGraffenreid, MDi, YHe, XHungate, RWJaen, JCLiu, JMonshouwer, MMcMinn, DRew, YSudom, ASun, DTu, HUrsu, SWalker, NYan, XYe, QPowers, 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:
BDBM28365
Synonyms:
CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide | cyclohexyl benzamide derivative, 4
Type:
Small organic molecule
Emp. Form.:
C22H27F3N2O2
Mol. Mass.:
408.4572
SMILES:
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
Structure:
Search PDB for entries with ligand similarity: