Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250439
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
1.5±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:
BDBM250439
Synonyms:
US9464044, 33
Type:
Small organic molecule
Emp. Form.:
C24H31FN2O5S
Mol. Mass.:
478.577
SMILES:
OCCC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4ccccc4F)CC1)C(C3)C2 |r,wU:11.12,TLB:3:5:11:31.7.8,12:11:31:5.6.32,10:5:31:11.9.8,THB:6:5:11:31.7.8,6:7:11:5.10.32,10:9:31:5.6.32,(9.91,.03,;8.82,-1.06,;7.33,-.66,;6.24,-1.75,;6.64,-3.23,;4.76,-1.35,;3.86,-3.27,;2.66,-2.6,;2.67,-.2,;3.43,.96,;4.76,.19,;2.09,.19,;.76,.96,;-.57,.19,;-.57,-1.35,;-1.91,.96,;-3.24,.19,;-4.57,.96,;-5.91,.19,;-6.68,-1.14,;-5.14,-1.14,;-7.24,.96,;-7.24,2.5,;-8.58,3.27,;-9.91,2.5,;-9.91,.96,;-8.58,.19,;-8.58,-1.35,;-1.14,2.3,;-2.68,2.3,;2.09,-1.35,;1.26,-3.25,;3.43,-2.12,)|
Structure:
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