Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250483
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
14.5±n/a nM
Comments
extracted
Citation
 Ahn, SK; Auh, J; Choi, NS; Han, CK; Kim, T; Pae, K; Shin, YJ; Han, D; Han, CK Compound having ability to inhibit 11Beta-HSD1 enzyme or pharmaceutically acceptable salt thereof, method for producing same, and pharmaceutical composition containing same as active ingredient US Patent  US9464044 Publication Date 10/11/2016 
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:
BDBM250483
Synonyms:
US9464044, 116
Type:
Small organic molecule
Emp. Form.:
C24H25BrClN3O4S
Mol. Mass.:
566.895
SMILES:
NC(=O)C12CC3CC(C1)[C@H](NC(=O)c1cccc(NS(=O)(=O)c4ccc(Br)cc4Cl)c1)C(C3)C2 |r,wU:9.10,TLB:10:9:32:3.4.33,8:3:32:9.7.6,1:3:9:32.5.6,THB:8:7:32:3.4.33,4:3:9:32.5.6,4:5:9:3.8.33,(9.95,-.66,;8.87,-1.75,;9.26,-3.23,;7.38,-1.35,;6.48,-3.27,;5.28,-2.6,;5.29,-.2,;6.05,.96,;7.38,.19,;4.72,.19,;3.38,.96,;2.05,.19,;2.05,-1.35,;.72,.96,;.72,2.5,;-.62,3.27,;-1.95,2.5,;-1.95,.96,;-3.29,.19,;-4.62,.96,;-4.62,2.5,;-3.53,2.05,;-5.95,.19,;-5.95,-1.35,;-7.29,-2.12,;-8.62,-1.35,;-9.95,-2.12,;-8.62,.19,;-7.29,.96,;-7.29,2.5,;-.62,.19,;4.72,-1.35,;3.88,-3.25,;6.05,-2.12,)|
Structure:
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