Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250436
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
1.2±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:
BDBM250436
Synonyms:
US9464044, 28
Type:
Small organic molecule
Emp. Form.:
C22H29N3O4S
Mol. Mass.:
431.548
SMILES:
NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4ccccc4)CC1)C(C3)C2 |r,wU:9.10,TLB:1:3:9:28.5.6,10:9:28:3.4.29,8:3:28:9.7.6,THB:4:3:9:28.5.6,4:5:9:3.8.29,8:7:28:3.4.29,(8.62,-.66,;7.53,-1.75,;7.93,-3.23,;6.04,-1.35,;5.15,-3.27,;3.94,-2.6,;3.96,-.2,;4.72,.96,;6.04,.19,;3.38,.19,;2.05,.96,;.72,.19,;.72,-1.35,;-.62,.96,;-1.95,.19,;-3.29,.96,;-4.62,.19,;-5.39,-1.14,;-3.85,-1.14,;-5.95,.96,;-5.95,2.5,;-7.29,3.27,;-8.62,2.5,;-8.62,.96,;-7.29,.19,;.15,2.3,;-1.39,2.3,;3.38,-1.35,;2.55,-3.25,;4.72,-2.12,)|
Structure:
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