Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250444
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
1.7±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:
BDBM250444
Synonyms:
US9464044, 40
Type:
Small organic molecule
Emp. Form.:
C22H28FN3O4S
Mol. Mass.:
449.539
SMILES:
Cc1cccc(F)c1S(=O)(=O)NC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:18.19,TLB:27:25:22:18.19.20,28:25:18:22.21.20,17:18:22:25.26.24,THB:27:19:22:25.26.24,26:25:18:22.21.20,26:21:18:25.27.24,(-3.95,3.66,;-5.29,2.89,;-6.62,3.66,;-7.95,2.89,;-7.95,1.35,;-6.62,.58,;-6.62,-.96,;-5.29,1.35,;-3.95,.58,;-3.18,1.91,;-4.72,-.76,;-2.62,-.19,;-1.29,.58,;-.52,1.91,;-2.06,1.91,;.05,-.19,;.05,-1.73,;1.38,.58,;2.72,-.19,;4.05,.58,;3.29,-.59,;3.28,-2.99,;1.88,-3.63,;2.72,-1.73,;4.05,-2.5,;5.38,-1.73,;4.48,-3.66,;5.38,-.19,;6.86,-2.13,;7.95,-1.04,;7.26,-3.62,)|
Structure:
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