Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334708
Substrate
n/a
Meas. Tech.
ChEMBL_699259 (CHEMBL1647079)
IC50
3.00±n/a nM
Citation
 Kwon, SW; Kang, SK; Lee, JH; Bok, JH; Kim, CH; Dal Rhee, S; Jung, WH; Kim, HY; Bae, MA; Song, JS; Ha, DC; Cheon, HG; Kim, KY; Ahn, JH Synthesis and 11ß hydroxysteroid dehydrogenase 1 inhibition of thiazolidine derivatives with an adamantyl group. Bioorg Med Chem Lett 21:435-9 (2010) [PubMed]  Article 
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:
BDBM50334708
Synonyms:
(E)-3-[(2-Fluorophenyl)sulfonyl]-N-[5-(aminocarbonyl)tricyclo[3,3,1,13,7]dec-2-yl]thiazolidine-2-carboxamide | (E/Z)-3-(2-Fluoro-benzenesulfonyl)-thiazolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide | (Z)-3-(2-Fluoro-benzenesulfonyl)-thiazolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide | 3-(2-Fluoro-benzenesulfonyl)-thiazolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide | CHEMBL1642622
Type:
Small organic molecule
Emp. Form.:
C21H26FN3O4S2
Mol. Mass.:
467.577
SMILES:
NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2 |TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(12.45,-21.42,;11.63,-20.11,;12.35,-18.75,;10.09,-20.17,;10.1,-18.65,;8.71,-18.07,;7.67,-19.3,;7.67,-20.89,;9.08,-21.45,;6.17,-21.31,;4.84,-20.54,;3.51,-21.31,;2.17,-20.54,;3.51,-22.85,;4.76,-23.76,;4.28,-25.22,;2.74,-25.22,;2.27,-23.76,;.92,-23.01,;.14,-21.67,;1.68,-21.67,;-.4,-23.8,;-.37,-25.33,;-1.69,-26.13,;-3.04,-25.38,;-3.06,-23.83,;-1.74,-23.05,;-1.76,-21.51,;7.37,-20.03,;7.36,-18.55,;8.7,-20.52,)|
Structure:
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