Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250479
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
51.2±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:
BDBM250479
Synonyms:
US9464044, 108
Type:
Small organic molecule
Emp. Form.:
C23H29N5O4S
Mol. Mass.:
471.572
SMILES:
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:20.21,TLB:19:20:24:27.28.26,29:27:24:20.21.22,30:27:20:24.23.22,THB:29:21:24:27.28.26,28:27:20:24.23.22,28:23:20:27.29.26,(-5.44,-2.12,;-6.77,-1.35,;-8.23,-1.82,;-9.14,-.58,;-8.23,.67,;-8.63,2.16,;-6.77,.19,;-5.44,.96,;-5.44,2.5,;-4.35,2.05,;-4.1,.19,;-2.77,.96,;-2.77,2.5,;-1.43,3.27,;-.1,2.5,;-.1,.96,;-1.43,.19,;1.23,.19,;1.23,-1.35,;2.57,.96,;3.9,.19,;5.23,.96,;4.48,-.2,;4.46,-2.6,;3.07,-3.25,;3.9,-1.35,;5.23,-2.12,;6.56,-1.35,;5.67,-3.27,;6.56,.19,;8.05,-1.75,;9.14,-.66,;8.45,-3.23,)|
Structure:
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