Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250442
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
17.1±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:
BDBM250442
Synonyms:
US9464044, 37
Type:
Small organic molecule
Emp. Form.:
C22H28ClN3O4S
Mol. Mass.:
465.993
SMILES:
NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4ccc(Cl)cc4)CC1)C(C3)C2 |r,wU:9.10,TLB:1:3:9:29.5.6,10:9:29:3.4.30,8:3:29:9.7.6,THB:4:3:9:29.5.6,4:5:9:3.8.30,8:7:29:3.4.30,(9.29,-.66,;8.2,-1.75,;8.6,-3.23,;6.71,-1.35,;5.81,-3.27,;4.61,-2.6,;4.63,-.2,;5.38,.96,;6.71,.19,;4.05,.19,;2.72,.96,;1.38,.19,;1.38,-1.35,;.05,.96,;-1.29,.19,;-2.62,.96,;-3.95,.19,;-4.72,-1.14,;-3.18,-1.14,;-5.29,.96,;-5.29,2.5,;-6.62,3.27,;-7.95,2.5,;-9.29,3.27,;-7.95,.96,;-6.62,.19,;.82,2.3,;-.72,2.3,;4.05,-1.35,;3.22,-3.25,;5.38,-2.12,)|
Structure:
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