Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50112141
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
6.2±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:
BDBM50112141
Synonyms:
CHEMBL3609869 | US9464044, 3
Type:
Small organic molecule
Emp. Form.:
C22H28FN3O4S
Mol. Mass.:
449.539
SMILES:
NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4ccccc4F)CC1)C(C3)C2 |r,wD:9.10,TLB:10:9:29:3.4.30,8:3:29:9.7.6,THB:1:3:29:9.7.6,9:28:4:8.7.6,9:7:4:29.30.28,8:7:29:3.4.30,(3.79,.16,;3.07,1.16,;3.58,2.29,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.02,-4.02,;-6.8,-5.55,;-5.66,-6.01,;-5.83,-4.79,;-8.01,-6.5,;-9.44,-5.93,;-10.65,-6.88,;-10.43,-8.41,;-9,-8.98,;-7.79,-8.03,;-6.65,-8.48,;-6.85,-.39,;-7.43,-1.82,;-1.2,1.02,;-1.2,2.69,;.34,.44,)|
Structure:
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