Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250499
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
52.5±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:
BDBM250499
Synonyms:
US9464044, 141
Type:
Small organic molecule
Emp. Form.:
C26H34N4O3
Mol. Mass.:
450.5732
SMILES:
NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNC(=O)N4CCCc5ccccc45)CC1)C(C3)C2 |r,wU:9.10,TLB:10:9:31:3.4.32,8:3:31:9.7.6,THB:8:7:31:3.4.32,4:3:9:31.5.6,4:5:9:3.8.32,1:3:31:9.7.6,(9.33,-1.26,;8,-2.03,;8.77,-3.36,;6.67,-1.26,;5.77,-3.18,;4.57,-2.52,;4.58,-.11,;5.34,1.05,;6.67,.28,;4,.28,;2.67,1.05,;1.34,.28,;1.34,-1.26,;0,1.05,;-1.33,.28,;-2.66,1.05,;-4,.28,;-4,-1.26,;-5.33,1.05,;-5.33,2.59,;-6.67,3.36,;-8,2.59,;-8,1.05,;-9.33,.28,;-9.33,-1.26,;-8,-2.03,;-6.67,-1.26,;-6.67,.28,;.77,2.39,;-.77,2.39,;4,-1.26,;3.17,-3.16,;5.34,-2.03,)|
Structure:
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