Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250414
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
14.2±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:
BDBM250414
Synonyms:
US9464044, 1
Type:
Small organic molecule
Emp. Form.:
C22H29ClN2O3S
Mol. Mass.:
436.995
SMILES:
Cc1c(Cl)cccc1S(=O)(=O)NCC1(CC1)C(=O)N[C@H]1C2CC3CC(C2)CC1C3 |r,wU:19.20,TLB:21:22:26:19.20.25,18:19:26:22.23.28,THB:21:20:26:22.23.28,23:22:19:26.24.25,23:24:19:22.21.28,(-5.33,-1.35,;-5.33,.19,;-6.67,.96,;-8,.19,;-6.67,2.5,;-5.33,3.27,;-4,2.5,;-4,.96,;-2.66,.19,;-3.43,-1.14,;-1.89,-1.14,;-1.33,.96,;0,.19,;1.34,.96,;2.11,2.3,;.57,2.3,;2.67,.19,;2.67,-1.35,;4,.96,;5.34,.19,;6.67,.96,;8,.19,;8,-1.35,;7.1,-3.27,;5.9,-2.6,;5.92,-.2,;4.5,-3.25,;5.34,-1.35,;6.67,-2.12,)|
Structure:
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