Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250443
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
6.7±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:
BDBM250443
Synonyms:
US9464044, 38
Type:
Small organic molecule
Emp. Form.:
C21H26ClN3O4S
Mol. Mass.:
451.967
SMILES:
NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CC1)NS(=O)(=O)c1cccc(Cl)c1)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:8:7:28:3.4.29,4:3:9:28.5.6,4:5:9:3.8.29,(8.61,-1.04,;7.52,-2.13,;7.92,-3.62,;6.04,-1.73,;5.14,-3.66,;3.94,-2.99,;3.95,-.59,;4.71,.58,;6.04,-.19,;3.38,-.19,;2.04,.58,;.71,-.19,;.71,-1.73,;-.63,.58,;.14,1.91,;-1.4,1.91,;-1.96,-.19,;-3.28,.58,;-2.51,1.91,;-4.05,-.75,;-4.61,1.35,;-4.61,2.89,;-5.95,3.66,;-7.28,2.89,;-7.28,1.35,;-8.61,.58,;-5.95,.58,;3.38,-1.73,;2.54,-3.63,;4.71,-2.5,)|
Structure:
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