Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250491
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
11.6±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:
BDBM250491
Synonyms:
US9464044, 125
Type:
Small organic molecule
Emp. Form.:
C25H25F4N3O4S
Mol. Mass.:
539.542
SMILES:
NC(=O)C12CC3CC(C1)[C@H](NC(=O)c1cccc(NS(=O)(=O)c4ccccc4C(F)(F)F)c1F)C(C3)C2 |r,wU:9.10,TLB:10:9:35:3.4.36,8:3:35:9.7.6,1:3:9:35.5.6,THB:8:7:35:3.4.36,4:3:9:35.5.6,4:5:9:3.8.36,(9.39,-1.04,;8.3,-2.13,;8.7,-3.62,;6.81,-1.73,;5.92,-3.66,;4.71,-2.99,;4.73,-.59,;5.49,.58,;6.81,-.19,;4.15,-.19,;2.82,.58,;1.49,-.19,;1.49,-1.73,;.15,.58,;.15,2.12,;-1.18,2.89,;-2.52,2.12,;-2.52,.58,;-3.85,-.19,;-5.18,.58,;-5.18,2.12,;-5.18,-.96,;-6.52,-.19,;-6.52,-1.73,;-7.85,-2.5,;-9.18,-1.73,;-9.18,-.19,;-7.85,.58,;-7.85,2.12,;-7.85,3.66,;-9.39,2.12,;-6.31,2.12,;-1.18,-.19,;-1.18,-1.73,;4.15,-1.73,;3.32,-3.63,;5.49,-2.5,)|
Structure:
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