Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM119215
Substrate
n/a
Meas. Tech.
Time Resolved Fluorescence Assay
IC50
6±n/a nM
Citation
 McCoull, W; Packer, M; Scott, JS; Whittamore, PR Chemical compounds US Patent  US8673938 Publication Date 3/18/2014 
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:
BDBM119215
Synonyms:
US8673938, 68
Type:
Small organic molecule
Emp. Form.:
C24H33N3O4S
Mol. Mass.:
459.602
SMILES:
CCCSc1nc(ccc1C(=O)NC1C2CC3CC(C2)CC1C3)N1CCOC(C1)C(O)=O |THB:20:18:15:21.13.22,17:18:13:15.16.22,(2.67,-4.23,;2.67,-2.69,;1.33,-1.93,;1.33,-.38,;,.38,;-1.33,-.38,;-2.67,.38,;-2.67,1.93,;-1.33,2.69,;,1.93,;1.33,2.69,;1.33,4.23,;2.67,1.93,;4,2.69,;5.33,1.93,;6.67,2.69,;6.67,4.23,;6,3.39,;5.23,3.39,;4.86,2.91,;5.23,4.22,;4,4.23,;5.33,5,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-5.33,-4.23,;-4,-5,;-6.67,-5,)|
Structure:
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