Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250497
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
62.1±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:
BDBM250497
Synonyms:
US9464044, 138
Type:
Small organic molecule
Emp. Form.:
C21H27N3O4S
Mol. Mass.:
417.522
SMILES:
NC(=O)C12CC3CC(C1)[C@H](NC(=O)c1cccc(NS(=O)(=O)C4CC4)c1)C(C3)C2 |r,wU:9.10,TLB:10:9:27:3.4.28,8:3:27:9.7.6,1:3:9:27.5.6,THB:8:7:27:3.4.28,4:3:9:27.5.6,4:5:9:3.8.28,(8.72,-.66,;7.63,-1.75,;8.03,-3.23,;6.15,-1.35,;5.25,-3.27,;4.05,-2.6,;4.06,-.2,;4.82,.96,;6.15,.19,;3.49,.19,;2.15,.96,;.82,.19,;.82,-1.35,;-.52,.96,;-.52,2.5,;-1.85,3.27,;-3.18,2.5,;-3.18,.96,;-4.52,.19,;-5.85,.96,;-5.85,2.5,;-7.18,1.73,;-7.18,.19,;-8.72,.19,;-7.95,-1.14,;-1.85,.19,;3.49,-1.35,;2.65,-3.25,;4.82,-2.12,)|
Structure:
Search PDB for entries with ligand similarity: