Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM250457
Substrate
n/a
Meas. Tech.
HTRF Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
11.2±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:
BDBM250457
Synonyms:
US9464044, 59
Type:
Small organic molecule
Emp. Form.:
C22H25F2N3O3
Mol. Mass.:
417.449
SMILES:
NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CC1)NC(=O)c1cccc(F)c1F)C(C3)C2 |r,wU:9.10,TLB:1:3:9:28.5.6,10:9:28:3.4.29,8:3:28:9.7.6,THB:8:7:28:3.4.29,4:3:9:28.5.6,4:5:9:3.8.29,(8.62,-.27,;7.53,-1.36,;7.93,-2.85,;6.04,-.96,;5.15,-2.89,;3.94,-2.22,;3.96,.18,;4.72,1.35,;6.04,.58,;3.38,.58,;2.05,1.35,;.72,.58,;.72,-.96,;-.62,1.35,;.15,2.68,;-1.39,2.68,;-1.95,.58,;-3.29,1.35,;-3.29,2.89,;-4.62,.58,;-4.62,-.96,;-5.95,-1.73,;-7.29,-.96,;-7.29,.58,;-8.62,1.35,;-5.95,1.35,;-5.95,2.89,;3.38,-.96,;2.55,-2.86,;4.72,-1.73,)|
Structure:
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