Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250441
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
15.4±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:
BDBM250441
Synonyms:
US9464044, 36
Type:
Small organic molecule
Emp. Form.:
C22H26F3N3O4S
Mol. Mass.:
485.52
SMILES:
NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4cc(F)c(F)cc4F)CC1)C(C3)C2 |r,wU:9.10,TLB:1:3:9:31.5.6,10:9:31:3.4.32,8:3:31:9.7.6,THB:4:3:9:31.5.6,4:5:9:3.8.32,8:7:31:3.4.32,(9.29,-1.43,;8.2,-2.52,;8.6,-4,;6.71,-2.12,;5.81,-4.04,;4.61,-3.37,;4.63,-.97,;5.38,.19,;6.71,-.58,;4.05,-.58,;2.72,.19,;1.38,-.58,;1.38,-2.12,;.05,.19,;-1.29,-.58,;-2.62,.19,;-3.95,-.58,;-4.72,-1.91,;-3.18,-1.91,;-5.29,.19,;-5.29,1.73,;-6.62,2.5,;-6.62,4.04,;-7.95,1.73,;-9.29,2.5,;-7.95,.19,;-6.62,-.58,;-6.62,-2.12,;.82,1.53,;-.72,1.53,;4.05,-2.12,;3.22,-4.02,;5.38,-2.89,)|
Structure:
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