Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM13749
Substrate
BDBM13739
Meas. Tech.
Human and Mouse 11beta-HSD1 SPA Assay
pH
7.2±n/a
Temperature
295.15±n/a K
Ki
4±1 nM
Citation
 Jean, DJYuan, CBercot, EACupples, RChen, MFretland, JHale, CHungate, RWKomorowski, RVeniant, MWang, MZhang, XFotsch, C 2-(S)-phenethylaminothiazolones as potent, orally efficacious inhibitors of 11beta-hydroxysteriod dehydrogenase type 1. J Med Chem 50:429-32 (2007) [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:
BDBM13749
Synonyms:
(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(propan-2-yl)-4,5-dihydro-1,3-thiazol-4-one | (S)-2-((S)-1-(2-fluorophenyl)ethylamino)-5-isopropyl-5-methylthiazol-4(5H)-one | 2-(S)-Phenethylamine analog 11
Type:
Small organic molecule
Emp. Form.:
C15H19FN2OS
Mol. Mass.:
294.388
SMILES:
CC(C)[C@]1(C)SC(N[C@@H](C)c2ccccc2F)=NC1=O |r,c:17|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM13739
Synonyms:
(1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione | [3H]-cortisone | [3H]cortisone | cortisone
Type:
Steroid
Emp. Form.:
C21H28O5
Mol. Mass.:
360.444
SMILES:
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:23|
Structure:
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