Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250435
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
1.2±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:
Human
Description:
P28845
Residue:
292
Sequence:
MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK
  
Inhibitor
Name:
BDBM250435
Synonyms:
US9464044, 26
Type:
Small organic molecule
Emp. Form.:
C25H32N4O4S
Mol. Mass.:
484.611
SMILES:
Cn1ccc2cc(ccc12)S(=O)(=O)NCC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:21.23,TLB:30:28:25:21.22.23,31:28:21:25.24.23,20:21:25:28.29.27,THB:30:22:25:28.29.27,29:28:21:25.24.23,29:24:21:28.30.27,(-9.67,3.79,;-8.9,2.46,;-9.81,1.21,;-8.9,-.03,;-7.44,.44,;-6.1,-.33,;-4.77,.44,;-4.77,1.98,;-6.1,2.75,;-7.44,1.98,;-3.43,-.33,;-4.2,-1.66,;-2.66,-1.66,;-2.1,.44,;-.77,-.33,;.57,.44,;1.34,1.78,;-.2,1.78,;1.9,-.33,;1.9,-1.87,;3.23,.44,;4.57,-.33,;5.9,.44,;5.15,-.72,;5.13,-3.12,;3.73,-3.77,;4.57,-1.87,;5.9,-2.64,;7.23,-1.87,;6.33,-3.79,;7.23,-.33,;8.72,-2.27,;9.81,-1.18,;9.12,-3.75,)|
Structure:
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