Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250416
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
2.7±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:
BDBM250416
Synonyms:
US9464044, 5
Type:
Small organic molecule
Emp. Form.:
C23H30ClN3O4S
Mol. Mass.:
480.02
SMILES:
Cc1c(Cl)cccc1S(=O)(=O)NCC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:19.20,TLB:18:19:23:26.27.25,28:26:23:19.20.21,29:26:19:23.22.21,THB:28:20:23:26.27.25,27:26:19:23.22.21,27:22:19:26.28.25,(-6.62,-1.35,;-6.62,.19,;-7.95,.96,;-9.29,.19,;-7.95,2.5,;-6.62,3.27,;-5.29,2.5,;-5.29,.96,;-3.95,.19,;-4.72,-1.14,;-3.18,-1.14,;-2.62,.96,;-1.29,.19,;.05,.96,;.82,2.3,;-.72,2.3,;1.38,.19,;1.38,-1.35,;2.72,.96,;4.05,.19,;5.38,.96,;4.63,-.2,;4.61,-2.6,;3.22,-3.25,;4.05,-1.35,;5.38,-2.12,;6.71,-1.35,;5.81,-3.27,;6.71,.19,;8.2,-1.75,;9.29,-.66,;8.6,-3.23,)|
Structure:
Search PDB for entries with ligand similarity: